6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

C16H27N5 — CID 66741584

IUPAC6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2cc(C3CCCCC3)nc(N)n2)CC1
InChIInChI=1S/C16H27N5/c1-21-9-7-13(8-10-21)18-15-11-14(19-16(17)20-15)12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H3,17,18,19,20)
InChIKeyIVRQHVZQBAPZNP-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.61
Rot. Bonds3

About 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 66741584) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID66741584
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2cc(C3CCCCC3)nc(N)n2)CC1
InChIInChI=1S/C16H27N5/c1-21-9-7-13(8-10-21)18-15-11-14(19-16(17)20-15)12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H3,17,18,19,20)
InChIKeyIVRQHVZQBAPZNP-UHFFFAOYSA-N
XLogP2.61
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 66741584) is 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is CN1CCC(Nc2cc(C3CCCCC3)nc(N)n2)CC1.
What is the InChIKey of 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is IVRQHVZQBAPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-21-9-7-13(8-10-21)18-15-11-14(19-16(17)20-15)12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H3,17,18,19,20).
What are the key properties of 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66741584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).