2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine

C15H21N5 — CID 67720732

IUPAC2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine
SMILESNCC1CCC(Nc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C15H21N5/c16-9-10-5-7-11(8-6-10)18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-4,10-11H,5-9,16H2,(H3,17,18,19,20)
InChIKeyVFCSMKCYWWWNJB-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.14
Rot. Bonds3

About 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine

2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine (PubChem CID 67720732) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine
PubChem CID67720732
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine
SMILESNCC1CCC(Nc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C15H21N5/c16-9-10-5-7-11(8-6-10)18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-4,10-11H,5-9,16H2,(H3,17,18,19,20)
InChIKeyVFCSMKCYWWWNJB-UHFFFAOYSA-N
XLogP2.14
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine (CID 67720732) is 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine is NCC1CCC(Nc2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine?
The InChIKey is VFCSMKCYWWWNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c16-9-10-5-7-11(8-6-10)18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-4,10-11H,5-9,16H2,(H3,17,18,19,20).
What are the key properties of 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine?
2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine is sourced from PubChem (CID 67720732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).