4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone

C24H34N6O — CID 142228808

IUPAC4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C)nn1C.CC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C17H24N4.C7H10N2O/c1-12-8-10-13(11-9-12)18-17-19-15-7-5-4-6-14(15)16(20-17)21(2)3;1-5-4-7(6(2)10)9(3)8-5/h4-7,12-13H,8-11H2,1-3H3,(H,18,19,20);4H,1-3H3
InChIKeyPQAIRNUAFPZHNM-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.62
Rot. Bonds4

About 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone

4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 142228808) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID142228808
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C)nn1C.CC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C17H24N4.C7H10N2O/c1-12-8-10-13(11-9-12)18-17-19-15-7-5-4-6-14(15)16(20-17)21(2)3;1-5-4-7(6(2)10)9(3)8-5/h4-7,12-13H,8-11H2,1-3H3,(H,18,19,20);4H,1-3H3
InChIKeyPQAIRNUAFPZHNM-UHFFFAOYSA-N
XLogP4.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanone
CID 142228588
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide
CID 68885137
1-(4-bromo-2,6-dimethylphenyl)-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68885386
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
CID 158648688
1-cyclopentyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612155
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
CID 10164382

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone (CID 142228808) is 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone is CC(=O)c1cc(C)nn1C.CC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is PQAIRNUAFPZHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.C7H10N2O/c1-12-8-10-13(11-9-12)18-17-19-15-7-5-4-6-14(15)16(20-17)21(2)3;1-5-4-7(6(2)10)9(3)8-5/h4-7,12-13H,8-11H2,1-3H3,(H,18,19,20);4H,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone?
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 422.58 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)quinazoline-2,4-diamine;1-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 142228808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).