4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine

C21H28N8 — CID 126891656

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cc(N2CCC(N(c3cc(N(C)C)ncn3)C3CC3)CC2)n2nccc2n1
InChIInChI=1S/C21H28N8/c1-15-12-21(29-18(25-15)6-9-24-29)27-10-7-17(8-11-27)28(16-4-5-16)20-13-19(26(2)3)22-14-23-20/h6,9,12-14,16-17H,4-5,7-8,10-11H2,1-3H3
InChIKeyVGGNOMMWQYJFIT-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.53
Rot. Bonds5

About 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126891656) has the molecular formula C21H28N8 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126891656
Molecular FormulaC21H28N8
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cc(N2CCC(N(c3cc(N(C)C)ncn3)C3CC3)CC2)n2nccc2n1
InChIInChI=1S/C21H28N8/c1-15-12-21(29-18(25-15)6-9-24-29)27-10-7-17(8-11-27)28(16-4-5-16)20-13-19(26(2)3)22-14-23-20/h6,9,12-14,16-17H,4-5,7-8,10-11H2,1-3H3
InChIKeyVGGNOMMWQYJFIT-UHFFFAOYSA-N
XLogP2.53
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 171996875
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 126891496
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
7-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56899517
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891497
7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 126933616
5-methyl-7-(4-pyridin-3-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 56916689
1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171993207
2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899976
2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892022
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 126891656) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine is Cc1cc(N2CCC(N(c3cc(N(C)C)ncn3)C3CC3)CC2)n2nccc2n1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is VGGNOMMWQYJFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8/c1-15-12-21(29-18(25-15)6-9-24-29)27-10-7-17(8-11-27)28(16-4-5-16)20-13-19(26(2)3)22-14-23-20/h6,9,12-14,16-17H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 392.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126891656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).