2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine

C14H17FN4O — CID 71031737

IUPAC2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOc1cc(NC(C)C)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O/c1-9(2)16-12-8-13(20-3)19-14(18-12)17-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyQMFQEYHWWSOQKN-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.19
Rot. Bonds5

About 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 71031737) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID71031737
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOc1cc(NC(C)C)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O/c1-9(2)16-12-8-13(20-3)19-14(18-12)17-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyQMFQEYHWWSOQKN-UHFFFAOYSA-N
XLogP3.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939002
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine
CID 115355112
N-[1-(4-fluorophenyl)propan-2-yl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326924
2-N-(4-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908574
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 14327548
methyl 1-[4-[[4-(dicyclopropylmethylamino)-6-(4-fluorophenyl)pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylate
CID 46185501
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930755
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 71031737) is 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine is COc1cc(NC(C)C)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is QMFQEYHWWSOQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9(2)16-12-8-13(20-3)19-14(18-12)17-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 276.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 71031737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).