5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine

C14H24FN3 — CID 114201160

IUPAC5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC(C)C)nc(C)c1F
InChIInChI=1S/C14H24FN3/c1-6-7-16-14-12(15)11(5)17-13(18-14)10(4)8-9(2)3/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyBLDXKVPXHJJELI-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.90
Rot. Bonds6

About 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine

5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 114201160) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID114201160
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC(C)C)nc(C)c1F
InChIInChI=1S/C14H24FN3/c1-6-7-16-14-12(15)11(5)17-13(18-14)10(4)8-9(2)3/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyBLDXKVPXHJJELI-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116729248
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000005
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000619
5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989175
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66051944
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine (CID 114201160) is 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)CC(C)C)nc(C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is BLDXKVPXHJJELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-6-7-16-14-12(15)11(5)17-13(18-14)10(4)8-9(2)3/h9-10H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine?
5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 253.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114201160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).