1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine

C23H35N5O3 — CID 174731053

IUPAC1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(N)c2cc1OC.O=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C13H24N2O.C10H11N3O2/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h11-12H,1-10H2,(H2,14,15,16);3-5H,1-2H3,(H2,11,12,13)
InChIKeyYLHCIMCCMGYNKZ-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.18
Rot. Bonds4

About 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine

1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine (PubChem CID 174731053) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
PubChem CID174731053
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(N)c2cc1OC.O=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C13H24N2O.C10H11N3O2/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h11-12H,1-10H2,(H2,14,15,16);3-5H,1-2H3,(H2,11,12,13)
InChIKeyYLHCIMCCMGYNKZ-UHFFFAOYSA-N
XLogP4.18
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
6-methoxyquinazoline-4,7-diamine
CID 142061671
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
7-methoxy-6-propan-2-yloxyquinazolin-4-amine
CID 141299467
6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea
CID 170764490
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol
CID 141094972
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine (CID 174731053) is 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(N)c2cc1OC.O=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine?
The InChIKey is YLHCIMCCMGYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C10H11N3O2/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h11-12H,1-10H2,(H2,14,15,16);3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine?
1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine has a molecular weight of 429.57 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 174731053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).