5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine

C13H23FN4 — CID 80804122

IUPAC5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(CC)C(C)C)n1
InChIInChI=1S/C13H23FN4/c1-5-7-15-13-16-8-10(14)12(18-13)17-11(6-2)9(3)4/h8-9,11H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyYEKNOQUIPSWMFI-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.28
Rot. Bonds7

About 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80804122) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80804122
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(CC)C(C)C)n1
InChIInChI=1S/C13H23FN4/c1-5-7-15-13-16-8-10(14)12(18-13)17-11(6-2)9(3)4/h8-9,11H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyYEKNOQUIPSWMFI-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80781382
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783494
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80804122) is 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC(CC)C(C)C)n1.
What is the InChIKey of 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YEKNOQUIPSWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4/c1-5-7-15-13-16-8-10(14)12(18-13)17-11(6-2)9(3)4/h8-9,11H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 254.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80804122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).