N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine

C15H18FN3O2 — CID 115355112

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O2/c1-10(8-11-4-6-12(16)7-5-11)17-15-18-13(20-2)9-14(19-15)21-3/h4-7,9-10H,8H2,1-3H3,(H,17,18,19)
InChIKeyRQHLBBXQMWJYSS-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.68
Rot. Bonds6

About N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine

N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115355112) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine
PubChem CID115355112
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O2/c1-10(8-11-4-6-12(16)7-5-11)17-15-18-13(20-2)9-14(19-15)21-3/h4-7,9-10H,8H2,1-3H3,(H,17,18,19)
InChIKeyRQHLBBXQMWJYSS-UHFFFAOYSA-N
XLogP2.68
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
N-[1-(4-fluorophenyl)propan-2-yl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326924
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824246
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
N-(4-chlorobutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 83186652
3-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115917453
2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 112746204
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
CID 134709520
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
CID 102758087

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine (CID 115355112) is N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NC(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is RQHLBBXQMWJYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(8-11-4-6-12(16)7-5-11)17-15-18-13(20-2)9-14(19-15)21-3/h4-7,9-10H,8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115355112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).