4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine

C14H17FN4 — CID 80954620

IUPAC4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-4-13-17-12(16)9-14(18-13)19(2)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKAXIULXPLJOITG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.92
Rot. Bonds4

About 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80954620) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80954620
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-4-13-17-12(16)9-14(18-13)19(2)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKAXIULXPLJOITG-UHFFFAOYSA-N
XLogP2.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947636
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
4-N-(2,4-dimethylphenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954477
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955011
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955028

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80954620) is 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)c2ccc(F)cc2)n1.
What is the InChIKey of 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is KAXIULXPLJOITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-4-13-17-12(16)9-14(18-13)19(2)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).