6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine

C16H29N5 — CID 80783092

IUPAC6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCCCN1CCC(Nc2ncnc(NC)c2C(C)C)CC1
InChIInChI=1S/C16H29N5/c1-5-8-21-9-6-13(7-10-21)20-16-14(12(2)3)15(17-4)18-11-19-16/h11-13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyPAWPWYHFLYOFMI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.93
Rot. Bonds6

About 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine

6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 80783092) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID80783092
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCCCN1CCC(Nc2ncnc(NC)c2C(C)C)CC1
InChIInChI=1S/C16H29N5/c1-5-8-21-9-6-13(7-10-21)20-16-14(12(2)3)15(17-4)18-11-19-16/h11-13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyPAWPWYHFLYOFMI-UHFFFAOYSA-N
XLogP2.93
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
6-N-methyl-5-nitro-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 112726555
6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 106193688
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
7-methyl-N-(1-propylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686395
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 115923056
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 113459447
6-methyl-N-(1-propylpyrrolidin-3-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 154823543
N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine
CID 133468910
3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 114598779

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine (CID 80783092) is 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine is CCCN1CCC(Nc2ncnc(NC)c2C(C)C)CC1.
What is the InChIKey of 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is PAWPWYHFLYOFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-8-21-9-6-13(7-10-21)20-16-14(12(2)3)15(17-4)18-11-19-16/h11-13H,5-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80783092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).