7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C21H27N7O — CID 126897381

IUPAC7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4cc(N(C)C)ncn4)CC3)ccc2c1=O
InChIInChI=1S/C21H27N7O/c1-15(2)28-14-24-18-11-16(5-6-17(18)21(28)29)26-7-9-27(10-8-26)20-12-19(25(3)4)22-13-23-20/h5-6,11-15H,7-10H2,1-4H3
InChIKeyKJWNUBCOYJVFJM-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.16
Rot. Bonds4

About 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897381) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897381
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4cc(N(C)C)ncn4)CC3)ccc2c1=O
InChIInChI=1S/C21H27N7O/c1-15(2)28-14-24-18-11-16(5-6-17(18)21(28)29)26-7-9-27(10-8-26)20-12-19(25(3)4)22-13-23-20/h5-6,11-15H,7-10H2,1-4H3
InChIKeyKJWNUBCOYJVFJM-UHFFFAOYSA-N
XLogP2.16
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,2-difluoroethyl)-7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]quinazolin-4-one
CID 126898039
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126897557
7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897457
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
7-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897400
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
3-propan-2-yl-7-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazolin-4-one
CID 126897319
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524

Frequently Asked Questions

What is the IUPAC name of 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897381) is 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is CC(C)n1cnc2cc(N3CCN(c4cc(N(C)C)ncn4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is KJWNUBCOYJVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-15(2)28-14-24-18-11-16(5-6-17(18)21(28)29)26-7-9-27(10-8-26)20-12-19(25(3)4)22-13-23-20/h5-6,11-15H,7-10H2,1-4H3.
What are the key properties of 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 393.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).