4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine

C22H32N6O — CID 126891574

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(Cc3nc4c(o3)CCCC4)CC2)ncn1
InChIInChI=1S/C22H32N6O/c1-26(2)20-13-21(24-15-23-20)28(16-7-8-16)17-9-11-27(12-10-17)14-22-25-18-5-3-4-6-19(18)29-22/h13,15-17H,3-12,14H2,1-2H3
InChIKeyHAYOYKFBRZZZFT-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.04
Rot. Bonds6

About 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126891574) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126891574
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(Cc3nc4c(o3)CCCC4)CC2)ncn1
InChIInChI=1S/C22H32N6O/c1-26(2)20-13-21(24-15-23-20)28(16-7-8-16)17-9-11-27(12-10-17)14-22-25-18-5-3-4-6-19(18)29-22/h13,15-17H,3-12,14H2,1-2H3
InChIKeyHAYOYKFBRZZZFT-UHFFFAOYSA-N
XLogP3.04
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 126891669
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891615
5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126891533
2-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126891541
N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891287
6-cyclopropyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941804
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
5,6-dimethyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941334
3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940860
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole
CID 126933521
N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 126891574) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(N(C2CC2)C2CCN(Cc3nc4c(o3)CCCC4)CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is HAYOYKFBRZZZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-26(2)20-13-21(24-15-23-20)28(16-7-8-16)17-9-11-27(12-10-17)14-22-25-18-5-3-4-6-19(18)29-22/h13,15-17H,3-12,14H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 396.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126891574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).