N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide

C18H21FN4O3 — CID 91769864

IUPACN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC(c2ccc(OC)c(F)c2)C2CC(O)C2)cn1
InChIInChI=1S/C18H21FN4O3/c1-20-18-21-8-12(9-22-18)17(25)23-16(11-5-13(24)6-11)10-3-4-15(26-2)14(19)7-10/h3-4,7-9,11,13,16,24H,5-6H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyLODWMDWHEZTRAZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.91
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide

N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 91769864) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID91769864
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC(c2ccc(OC)c(F)c2)C2CC(O)C2)cn1
InChIInChI=1S/C18H21FN4O3/c1-20-18-21-8-12(9-22-18)17(25)23-16(11-5-13(24)6-11)10-3-4-15(26-2)14(19)7-10/h3-4,7-9,11,13,16,24H,5-6H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyLODWMDWHEZTRAZ-UHFFFAOYSA-N
XLogP1.91
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-methylsulfanylpropanamide
CID 91770108
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
CID 91768425
2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 133264938
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 91762362
3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide
CID 91782922
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
2-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 91786570
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 91782344
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
2-[[(1R)-1-cyclopropylethyl]amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-[(2R)-pyrrolidin-2-yl]methyl]quinazoline-7-carboxamide
CID 71528941
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide (CID 91769864) is N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide is CNc1ncc(C(=O)NC(c2ccc(OC)c(F)c2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is LODWMDWHEZTRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-20-18-21-8-12(9-22-18)17(25)23-16(11-5-13(24)6-11)10-3-4-15(26-2)14(19)7-10/h3-4,7-9,11,13,16,24H,5-6H2,1-2H3,(H,23,25)(H,20,21,22).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 91769864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).