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

C12H21N3 — CID 63319355

IUPAC3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nccc(C(C)C)n1
InChIInChI=1S/C12H21N3/c1-5-12(13,6-2)11-14-8-7-10(15-11)9(3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyQFVZFWDVLPZWNR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.57
Rot. Bonds4

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

3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine (PubChem CID 63319355) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine
PubChem CID63319355
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nccc(C(C)C)n1
InChIInChI=1S/C12H21N3/c1-5-12(13,6-2)11-14-8-7-10(15-11)9(3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyQFVZFWDVLPZWNR-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine?
The IUPAC name of 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine (CID 63319355) is 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine.
What is the SMILES notation for 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine?
The canonical SMILES for 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine is CCC(N)(CC)c1nccc(C(C)C)n1.
What is the InChIKey of 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine?
The InChIKey is QFVZFWDVLPZWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12(13,6-2)11-14-8-7-10(15-11)9(3)4/h7-9H,5-6,13H2,1-4H3.
What are the key properties of 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine?
3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine is sourced from PubChem (CID 63319355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).