2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride

C16H24ClN5 — CID 67719963

IUPAC2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride
SMILESCl.NCCC1CCC(Nc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C16H23N5.ClH/c17-10-9-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(18)21-16;/h1-4,11-12H,5-10,17H2,(H3,18,19,20,21);1H
InChIKeyUIAWPISQALCVCZ-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.95
Rot. Bonds4

About 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride

2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride (PubChem CID 67719963) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride
PubChem CID67719963
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride
SMILESCl.NCCC1CCC(Nc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C16H23N5.ClH/c17-10-9-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(18)21-16;/h1-4,11-12H,5-10,17H2,(H3,18,19,20,21);1H
InChIKeyUIAWPISQALCVCZ-UHFFFAOYSA-N
XLogP2.95
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride (CID 67719963) is 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride is Cl.NCCC1CCC(Nc2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride?
The InChIKey is UIAWPISQALCVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5.ClH/c17-10-9-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(18)21-16;/h1-4,11-12H,5-10,17H2,(H3,18,19,20,21);1H.
What are the key properties of 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride?
2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 67719963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).