10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline

C20H25N5 — CID 123167105

IUPAC10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline
SMILESC=Cc1ccc2c(c1)C1=NC(C)=C(CC)CN1C(N1CCNCC1)=N2
InChIInChI=1S/C20H25N5/c1-4-15-6-7-18-17(12-15)19-22-14(3)16(5-2)13-25(19)20(23-18)24-10-8-21-9-11-24/h4,6-7,12,21H,1,5,8-11,13H2,2-3H3
InChIKeyBFYROOKCPGVZGL-UHFFFAOYSA-N
MW335.46 g/mol
LogP2.98
Rot. Bonds2

About 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline

10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline (PubChem CID 123167105) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline.

Molecular Properties

Compound Name10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline
PubChem CID123167105
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline
SMILESC=Cc1ccc2c(c1)C1=NC(C)=C(CC)CN1C(N1CCNCC1)=N2
InChIInChI=1S/C20H25N5/c1-4-15-6-7-18-17(12-15)19-22-14(3)16(5-2)13-25(19)20(23-18)24-10-8-21-9-11-24/h4,6-7,12,21H,1,5,8-11,13H2,2-3H3
InChIKeyBFYROOKCPGVZGL-UHFFFAOYSA-N
XLogP2.98
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine
CID 88906184
ethane;1-(4-ethenyl-2-pyridinyl)piperazine
CID 142364779
1-(4-ethenylphenyl)piperazine;methane
CID 159070972
1-ethenyl-4-ethylbenzene;pyrrolidine
CID 174791153
propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
CID 165119278
1-(5-ethenyl-3-pyridinyl)piperazine
CID 150234199
ethane;propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
CID 165119276
1-(2-bromo-4-ethylphenyl)piperazine
CID 84712435
(Z)-N-(6-bromo-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine
CID 88906156
3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336
4-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 86209737
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline?
The IUPAC name of 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline (CID 123167105) is 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline.
What is the SMILES notation for 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline?
The canonical SMILES for 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline is C=Cc1ccc2c(c1)C1=NC(C)=C(CC)CN1C(N1CCNCC1)=N2.
What is the InChIKey of 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline?
The InChIKey is BFYROOKCPGVZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-4-15-6-7-18-17(12-15)19-22-14(3)16(5-2)13-25(19)20(23-18)24-10-8-21-9-11-24/h4,6-7,12,21H,1,5,8-11,13H2,2-3H3.
What are the key properties of 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline?
10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline has a molecular weight of 335.46 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-3-ethyl-2-methyl-6-piperazin-1-yl-4H-pyrimido[1,2-c]quinazoline is sourced from PubChem (CID 123167105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).