1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine

C22H27N5 — CID 121254804

IUPAC1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ncnc3ccc(-c4ccc(C)nc4)cc23)CC1
InChIInChI=1S/C22H27N5/c1-15-4-5-17(13-24-15)16-6-11-21-20(12-16)22(26-14-25-21)27(3)19-9-7-18(23-2)8-10-19/h4-6,11-14,18-19,23H,7-10H2,1-3H3
InChIKeyVDNTXZZONSJQSH-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.97
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 121254804) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID121254804
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ncnc3ccc(-c4ccc(C)nc4)cc23)CC1
InChIInChI=1S/C22H27N5/c1-15-4-5-17(13-24-15)16-6-11-21-20(12-16)22(26-14-25-21)27(3)19-9-7-18(23-2)8-10-19/h4-6,11-14,18-19,23H,7-10H2,1-3H3
InChIKeyVDNTXZZONSJQSH-UHFFFAOYSA-N
XLogP3.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine
CID 121254825
1-N,4-N-dimethyl-4-N-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 121254890
1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
CID 90955696
1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 113457163
1-N,4-N-dimethyl-4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 79123141
1-N-methyl-4-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 121266064
1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine
CID 79117532
4-N-(3-bromo-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110265
1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 79122150
4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 114046754
5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]pyridine-3-carboxylic acid
CID 130446833
4-N,4-N-dimethyl-1-N-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446877

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine (CID 121254804) is 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine is CNC1CCC(N(C)c2ncnc3ccc(-c4ccc(C)nc4)cc23)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is VDNTXZZONSJQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-15-4-5-17(13-24-15)16-6-11-21-20(12-16)22(26-14-25-21)27(3)19-9-7-18(23-2)8-10-19/h4-6,11-14,18-19,23H,7-10H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 361.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[6-(6-methyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 121254804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).