5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

C9H15FN4 — CID 80754084

IUPAC5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(C)C(C)Nc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4/c1-5(2)6(3)13-8-7(10)4-12-9(11)14-8/h4-6H,1-3H3,(H3,11,12,13,14)
InChIKeyUAPHKTWEAWBLMO-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.65
Rot. Bonds3

About 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80754084) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID80754084
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(C)C(C)Nc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4/c1-5(2)6(3)13-8-7(10)4-12-9(11)14-8/h4-6H,1-3H3,(H3,11,12,13,14)
InChIKeyUAPHKTWEAWBLMO-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
Aminomethylpyrimidine
CID 6946837
N4-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 80796929
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
CID 1714312
4-N-(2-aminopropyl)pyrimidine-2,4-diamine
CID 49856811
4-N-[3-(methylamino)propyl]pyrimidine-2,4-diamine
CID 49856815
5-Fluoropyrimidine-2,4-diamine
CID 255608
5-Fluoropyrimidin-4-amine
CID 3478696
5-Fluoro-2-methylpyrimidin-4-amine
CID 23381199

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (CID 80754084) is 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is CC(C)C(C)Nc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is UAPHKTWEAWBLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-5(2)6(3)13-8-7(10)4-12-9(11)14-8/h4-6H,1-3H3,(H3,11,12,13,14).
What are the key properties of 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80754084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).