5-(2-methylbutan-2-yl)pyrimidin-2-amine

C9H15N3 — CID 123717080

IUPAC5-(2-methylbutan-2-yl)pyrimidin-2-amine
SMILESCCC(C)(C)c1cnc(N)nc1
InChIInChI=1S/C9H15N3/c1-4-9(2,3)7-5-11-8(10)12-6-7/h5-6H,4H2,1-3H3,(H2,10,11,12)
InChIKeyOAGMHTISEKVHSS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.75
Rot. Bonds2

About 5-(2-methylbutan-2-yl)pyrimidin-2-amine

5-(2-methylbutan-2-yl)pyrimidin-2-amine (PubChem CID 123717080) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)pyrimidin-2-amine
PubChem CID123717080
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-(2-methylbutan-2-yl)pyrimidin-2-amine
SMILESCCC(C)(C)c1cnc(N)nc1
InChIInChI=1S/C9H15N3/c1-4-9(2,3)7-5-11-8(10)12-6-7/h5-6H,4H2,1-3H3,(H2,10,11,12)
InChIKeyOAGMHTISEKVHSS-UHFFFAOYSA-N
XLogP1.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Heptafluoropropyl)pyrimidine
CID 119085065
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
2-Chloro-5-decylpyrimidine
CID 22099083
5-Ethylpyrimidin-2-amine
CID 23131355
5-(Piperidin-4-yl)pyrimidine
CID 24904194
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-methylbutan-2-yl)pyrimidin-2-amine (CID 123717080) is 5-(2-methylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-methylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-methylbutan-2-yl)pyrimidin-2-amine is CCC(C)(C)c1cnc(N)nc1.
What is the InChIKey of 5-(2-methylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is OAGMHTISEKVHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-9(2,3)7-5-11-8(10)12-6-7/h5-6H,4H2,1-3H3,(H2,10,11,12).
What are the key properties of 5-(2-methylbutan-2-yl)pyrimidin-2-amine?
5-(2-methylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 123717080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).