4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline

C18H19ClN6O2 — CID 170974359

IUPAC4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCN(c4cc(C)nc(Cl)n4)C3)c2cc1OC
InChIInChI=1S/C18H19ClN6O2/c1-11-6-16(23-18(19)22-11)24-4-5-25(10-24)17-12-7-14(26-2)15(27-3)8-13(12)20-9-21-17/h6-9H,4-5,10H2,1-3H3
InChIKeyKPEJPVNCOXAZAJ-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.68
Rot. Bonds4

About 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline

4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline (PubChem CID 170974359) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline
PubChem CID170974359
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCN(c4cc(C)nc(Cl)n4)C3)c2cc1OC
InChIInChI=1S/C18H19ClN6O2/c1-11-6-16(23-18(19)22-11)24-4-5-25(10-24)17-12-7-14(26-2)15(27-3)8-13(12)20-9-21-17/h6-9H,4-5,10H2,1-3H3
InChIKeyKPEJPVNCOXAZAJ-UHFFFAOYSA-N
XLogP2.68
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
CID 14738824
6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
CID 163354995
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline?
The IUPAC name of 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline (CID 170974359) is 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline is COc1cc2ncnc(N3CCN(c4cc(C)nc(Cl)n4)C3)c2cc1OC.
What is the InChIKey of 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline?
The InChIKey is KPEJPVNCOXAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-11-6-16(23-18(19)22-11)24-4-5-25(10-24)17-12-7-14(26-2)15(27-3)8-13(12)20-9-21-17/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline?
4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline has a molecular weight of 386.84 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 170974359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).