3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine

C13H23N3 — CID 63200525

IUPAC3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1cc(C)nc(C(C)C)n1)C(C)N
InChIInChI=1S/C13H23N3/c1-6-11(10(5)14)12-7-9(4)15-13(16-12)8(2)3/h7-8,10-11H,6,14H2,1-5H3
InChIKeyUNSGOYNQHJQRHK-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.75
Rot. Bonds4

About 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine

3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine (PubChem CID 63200525) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound Name3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine
PubChem CID63200525
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1cc(C)nc(C(C)C)n1)C(C)N
InChIInChI=1S/C13H23N3/c1-6-11(10(5)14)12-7-9(4)15-13(16-12)8(2)3/h7-8,10-11H,6,14H2,1-5H3
InChIKeyUNSGOYNQHJQRHK-UHFFFAOYSA-N
XLogP2.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 63203818
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
CID 63550016
N-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)butan-1-amine
CID 116896592
4-bromo-6-methyl-2-propan-2-ylpyrimidine
CID 43517260
4-fluoro-6-methyl-2-propan-2-ylpyrimidine
CID 173416420
3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280428
7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66276860
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine
CID 63196625
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
The IUPAC name of 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine (CID 63200525) is 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine is CCC(c1cc(C)nc(C(C)C)n1)C(C)N.
What is the InChIKey of 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
The InChIKey is UNSGOYNQHJQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-11(10(5)14)12-7-9(4)15-13(16-12)8(2)3/h7-8,10-11H,6,14H2,1-5H3.
What are the key properties of 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 63200525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).