4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine

C8H13FN4 — CID 66624038

IUPAC4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine
SMILESCC[C@H](C)Nc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4/c1-3-5(2)12-7-6(9)4-11-8(10)13-7/h4-5H,3H2,1-2H3,(H3,10,11,12,13)/t5-/m0/s1
InChIKeyILYJBBBJMOAZQQ-YFKPBYRVSA-N
MW184.22 g/mol
LogP1.41
Rot. Bonds3

About 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine

4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 66624038) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine
PubChem CID66624038
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine
SMILESCC[C@H](C)Nc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4/c1-3-5(2)12-7-6(9)4-11-8(10)13-7/h4-5H,3H2,1-2H3,(H3,10,11,12,13)/t5-/m0/s1
InChIKeyILYJBBBJMOAZQQ-YFKPBYRVSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
2-Chloro-5-fluoropyrimidin-4-amine
CID 254372
Aminomethylpyrimidine
CID 6946837
N4-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 80796929
2-Amino-5-fluoropyrimidine
CID 15209694
4-Amino-5-fluoro-2-methoxypyrimidine
CID 44630535
N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
CID 1714312
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine (CID 66624038) is 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine is CC[C@H](C)Nc1nc(N)ncc1F.
What is the InChIKey of 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is ILYJBBBJMOAZQQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13FN4/c1-3-5(2)12-7-6(9)4-11-8(10)13-7/h4-5H,3H2,1-2H3,(H3,10,11,12,13)/t5-/m0/s1.
What are the key properties of 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine?
4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 184.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 66624038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).