7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C21H26N6O — CID 126897440

IUPAC7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCc1ncc(CN2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-15(2)27-14-24-20-10-18(4-5-19(20)21(27)28)26-8-6-25(7-9-26)13-17-11-22-16(3)23-12-17/h4-5,10-12,14-15H,6-9,13H2,1-3H3
InChIKeyDPABOIOGUDYZDW-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.40
Rot. Bonds4

About 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897440) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897440
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCc1ncc(CN2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-15(2)27-14-24-20-10-18(4-5-19(20)21(27)28)26-8-6-25(7-9-26)13-17-11-22-16(3)23-12-17/h4-5,10-12,14-15H,6-9,13H2,1-3H3
InChIKeyDPABOIOGUDYZDW-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one with MolForge

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Related Compounds

7-[4-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897418
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897363
3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897487
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425
7-[4-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897479
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145
7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897419
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897400
3-propan-2-yl-7-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897505

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897440) is 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is Cc1ncc(CN2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)cn1.
What is the InChIKey of 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is DPABOIOGUDYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15(2)27-14-24-20-10-18(4-5-19(20)21(27)28)26-8-6-25(7-9-26)13-17-11-22-16(3)23-12-17/h4-5,10-12,14-15H,6-9,13H2,1-3H3.
What are the key properties of 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).