2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide

C18H23FN4O3 — CID 21112190

IUPAC2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide
SMILESCOc1nc(C(C)(C)N(C)C)nc(C(=O)NCc2ccc(F)cc2)c1O
InChIInChI=1S/C18H23FN4O3/c1-18(2,23(3)4)17-21-13(14(24)16(22-17)26-5)15(25)20-10-11-6-8-12(19)9-7-11/h6-9,24H,10H2,1-5H3,(H,20,25)
InChIKeyXQRVPFFFJIWZHO-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide

2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide (PubChem CID 21112190) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide
PubChem CID21112190
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide
SMILESCOc1nc(C(C)(C)N(C)C)nc(C(=O)NCc2ccc(F)cc2)c1O
InChIInChI=1S/C18H23FN4O3/c1-18(2,23(3)4)17-21-13(14(24)16(22-17)26-5)15(25)20-10-11-6-8-12(19)9-7-11/h6-9,24H,10H2,1-5H3,(H,20,25)
InChIKeyXQRVPFFFJIWZHO-UHFFFAOYSA-N
XLogP2.06
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide (CID 21112190) is 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide is COc1nc(C(C)(C)N(C)C)nc(C(=O)NCc2ccc(F)cc2)c1O.
What is the InChIKey of 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide?
The InChIKey is XQRVPFFFJIWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-18(2,23(3)4)17-21-13(14(24)16(22-17)26-5)15(25)20-10-11-6-8-12(19)9-7-11/h6-9,24H,10H2,1-5H3,(H,20,25).
What are the key properties of 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide?
2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 21112190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).