5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine

C16H28N6 — CID 68550539

IUPAC5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CCN(c2nc(N)nc(N)c2C2CCCCC2)CC1
InChIInChI=1S/C16H28N6/c1-19-12-7-9-22(10-8-12)15-13(11-5-3-2-4-6-11)14(17)20-16(18)21-15/h11-12,19H,2-10H2,1H3,(H4,17,18,20,21)
InChIKeyFQHQNACHYQLMKE-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.88
Rot. Bonds3

About 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine

5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 68550539) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID68550539
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CCN(c2nc(N)nc(N)c2C2CCCCC2)CC1
InChIInChI=1S/C16H28N6/c1-19-12-7-9-22(10-8-12)15-13(11-5-3-2-4-6-11)14(17)20-16(18)21-15/h11-12,19H,2-10H2,1H3,(H4,17,18,20,21)
InChIKeyFQHQNACHYQLMKE-UHFFFAOYSA-N
XLogP1.88
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine
CID 67157420
5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
CID 67156514
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743
11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine
CID 44513554
2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine
CID 122625377
6-cyclohexyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67217441
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 66741584
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071320
4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine (CID 68550539) is 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine is CNC1CCN(c2nc(N)nc(N)c2C2CCCCC2)CC1.
What is the InChIKey of 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is FQHQNACHYQLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-19-12-7-9-22(10-8-12)15-13(11-5-3-2-4-6-11)14(17)20-16(18)21-15/h11-12,19H,2-10H2,1H3,(H4,17,18,20,21).
What are the key properties of 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 304.44 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 68550539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).