2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine

C16H27N5 — CID 70748758

IUPAC2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C16H27N5/c17-15-8-9-18-16(20-15)19-14-7-4-10-21(12-14)11-13-5-2-1-3-6-13/h8-9,13-14H,1-7,10-12H2,(H3,17,18,19,20)
InChIKeyFJBMCAPAETYHKC-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.52
Rot. Bonds4

About 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine

2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 70748758) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID70748758
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C16H27N5/c17-15-8-9-18-16(20-15)19-14-7-4-10-21(12-14)11-13-5-2-1-3-6-13/h8-9,13-14H,1-7,10-12H2,(H3,17,18,19,20)
InChIKeyFJBMCAPAETYHKC-UHFFFAOYSA-N
XLogP2.52
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine (CID 70748758) is 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine is Nc1ccnc(NC2CCCN(CC3CCCCC3)C2)n1.
What is the InChIKey of 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is FJBMCAPAETYHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c17-15-8-9-18-16(20-15)19-14-7-4-10-21(12-14)11-13-5-2-1-3-6-13/h8-9,13-14H,1-7,10-12H2,(H3,17,18,19,20).
What are the key properties of 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(cyclohexylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 70748758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).