2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

C23H29N5O — CID 50985208

IUPAC2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(-c2nc(N3CCN(CCN(C)C)CC3)ncc2-c2ccoc2)cc1
InChIInChI=1S/C23H29N5O/c1-18-4-6-19(7-5-18)22-21(20-8-15-29-17-20)16-24-23(25-22)28-13-11-27(12-14-28)10-9-26(2)3/h4-8,15-17H,9-14H2,1-3H3
InChIKeyVMPLYSNCOLJRCV-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 50985208) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID50985208
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(-c2nc(N3CCN(CCN(C)C)CC3)ncc2-c2ccoc2)cc1
InChIInChI=1S/C23H29N5O/c1-18-4-6-19(7-5-18)22-21(20-8-15-29-17-20)16-24-23(25-22)28-13-11-27(12-14-28)10-9-26(2)3/h4-8,15-17H,9-14H2,1-3H3
InChIKeyVMPLYSNCOLJRCV-UHFFFAOYSA-N
XLogP3.40
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

Las-38096
CID 11716665
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
N-(7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylbenzamide
CID 663468
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
5-{[4''-(2-furyl)-4,5''-bipyrimidin-2''-yl]amino}pyridin-2(1H)-one
CID 11544506
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
4''-(2-furyl)-N-pyrimidin-5-yl-4,5''-bipyrimidin-2''-amine
CID 11659696
7-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841719
8-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841962
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide
CID 72724708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 50985208) is 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1ccc(-c2nc(N3CCN(CCN(C)C)CC3)ncc2-c2ccoc2)cc1.
What is the InChIKey of 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is VMPLYSNCOLJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-18-4-6-19(7-5-18)22-21(20-8-15-29-17-20)16-24-23(25-22)28-13-11-27(12-14-28)10-9-26(2)3/h4-8,15-17H,9-14H2,1-3H3.
What are the key properties of 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 391.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 50985208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).