1-N-pyrimidin-4-ylcyclohexane-1,3-diamine

C10H16N4 — CID 83619888

IUPAC1-N-pyrimidin-4-ylcyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccncn2)C1
InChIInChI=1S/C10H16N4/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3,6,11H2,(H,12,13,14)
InChIKeyLJUBSHBQUOFCRX-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.16
Rot. Bonds2

About 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine

1-N-pyrimidin-4-ylcyclohexane-1,3-diamine (PubChem CID 83619888) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-pyrimidin-4-ylcyclohexane-1,3-diamine
PubChem CID83619888
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-N-pyrimidin-4-ylcyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccncn2)C1
InChIInChI=1S/C10H16N4/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3,6,11H2,(H,12,13,14)
InChIKeyLJUBSHBQUOFCRX-UHFFFAOYSA-N
XLogP1.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine (CID 83619888) is 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine is NC1CCCC(Nc2ccncn2)C1.
What is the InChIKey of 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine?
The InChIKey is LJUBSHBQUOFCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3,6,11H2,(H,12,13,14).
What are the key properties of 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine?
1-N-pyrimidin-4-ylcyclohexane-1,3-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pyrimidin-4-ylcyclohexane-1,3-diamine is sourced from PubChem (CID 83619888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).