1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine

C19H26N4 — CID 121256083

IUPAC1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(C4CC4)cc23)CC1
InChIInChI=1S/C19H26N4/c1-23(2)16-8-6-15(7-9-16)22-19-17-11-14(13-3-4-13)5-10-18(17)20-12-21-19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,20,21,22)
InChIKeyKDYOOMNKHFSPSS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.79
Rot. Bonds4

About 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 121256083) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID121256083
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(C4CC4)cc23)CC1
InChIInChI=1S/C19H26N4/c1-23(2)16-8-6-15(7-9-16)22-19-17-11-14(13-3-4-13)5-10-18(17)20-12-21-19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,20,21,22)
InChIKeyKDYOOMNKHFSPSS-UHFFFAOYSA-N
XLogP3.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 121256083) is 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ncnc3ccc(C4CC4)cc23)CC1.
What is the InChIKey of 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is KDYOOMNKHFSPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-23(2)16-8-6-15(7-9-16)22-19-17-11-14(13-3-4-13)5-10-18(17)20-12-21-19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,20,21,22).
What are the key properties of 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 310.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-cyclopropylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 121256083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).