N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C16H17FN4O2 — CID 109343844

IUPACN-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C16H17FN4O2/c17-11-3-1-4-12(7-11)21-16(22)14-8-15(20-10-19-14)18-9-13-5-2-6-23-13/h1,3-4,7-8,10,13H,2,5-6,9H2,(H,21,22)(H,18,19,20)
InChIKeyBOGHUWPFNUMKSV-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.46
Rot. Bonds5

About N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109343844) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109343844
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C16H17FN4O2/c17-11-3-1-4-12(7-11)21-16(22)14-8-15(20-10-19-14)18-9-13-5-2-6-23-13/h1,3-4,7-8,10,13H,2,5-6,9H2,(H,21,22)(H,18,19,20)
InChIKeyBOGHUWPFNUMKSV-UHFFFAOYSA-N
XLogP2.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
6-(oxolan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109343791
N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343813
N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112857317
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343891
N-(furan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343710
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339622
6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757
N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343818

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109343844) is N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cc(NCC2CCCO2)ncn1.
What is the InChIKey of N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is BOGHUWPFNUMKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-11-3-1-4-12(7-11)21-16(22)14-8-15(20-10-19-14)18-9-13-5-2-6-23-13/h1,3-4,7-8,10,13H,2,5-6,9H2,(H,21,22)(H,18,19,20).
What are the key properties of N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).