N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide

C21H23N5O2 — CID 112853775

IUPACN-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCc3ccco3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-9-11-26(12-10-25)19-14-18(21(27)22-15-17-8-5-13-28-17)23-20(24-19)16-6-3-2-4-7-16/h2-8,13-14H,9-12,15H2,1H3,(H,22,27)
InChIKeyYUHZMMZSZWOYSE-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.42
Rot. Bonds5

About N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853775) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853775
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCc3ccco3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-9-11-26(12-10-25)19-14-18(21(27)22-15-17-8-5-13-28-17)23-20(24-19)16-6-3-2-4-7-16/h2-8,13-14H,9-12,15H2,1H3,(H,22,27)
InChIKeyYUHZMMZSZWOYSE-UHFFFAOYSA-N
XLogP2.42
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853943
N-[(4-methoxyphenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852647
N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852645
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide (CID 112853775) is N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide is CN1CCN(c2cc(C(=O)NCc3ccco3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is YUHZMMZSZWOYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-9-11-26(12-10-25)19-14-18(21(27)22-15-17-8-5-13-28-17)23-20(24-19)16-6-3-2-4-7-16/h2-8,13-14H,9-12,15H2,1H3,(H,22,27).
What are the key properties of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).