N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

C18H19N7O2 — CID 109254918

IUPACN-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C18H19N7O2/c26-16(21-13-15-3-1-10-27-15)14-11-22-18(23-12-14)25-8-6-24(7-9-25)17-19-4-2-5-20-17/h1-5,10-12H,6-9,13H2,(H,21,26)
InChIKeyGZTDXNGHJQSATM-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.12
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109254918) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109254918
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C18H19N7O2/c26-16(21-13-15-3-1-10-27-15)14-11-22-18(23-12-14)25-8-6-24(7-9-25)17-19-4-2-5-20-17/h1-5,10-12H,6-9,13H2,(H,21,26)
InChIKeyGZTDXNGHJQSATM-UHFFFAOYSA-N
XLogP1.12
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254907
N-(furan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109097112
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
3-(furan-2-ylmethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 56823440
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 74236548
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109254918) is N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is O=C(NCc1ccco1)c1cnc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is GZTDXNGHJQSATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c26-16(21-13-15-3-1-10-27-15)14-11-22-18(23-12-14)25-8-6-24(7-9-25)17-19-4-2-5-20-17/h1-5,10-12H,6-9,13H2,(H,21,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).