5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine

C13H22N4 — CID 113388491

IUPAC5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine
SMILESCC(N)Cc1cnc(N(C)C(C)C2CC2)nc1
InChIInChI=1S/C13H22N4/c1-9(14)6-11-7-15-13(16-8-11)17(3)10(2)12-4-5-12/h7-10,12H,4-6,14H2,1-3H3
InChIKeyOHTHAUNKTLWLSI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.60
Rot. Bonds5

About 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine

5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine (PubChem CID 113388491) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine
PubChem CID113388491
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine
SMILESCC(N)Cc1cnc(N(C)C(C)C2CC2)nc1
InChIInChI=1S/C13H22N4/c1-9(14)6-11-7-15-13(16-8-11)17(3)10(2)12-4-5-12/h7-10,12H,4-6,14H2,1-3H3
InChIKeyOHTHAUNKTLWLSI-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine (CID 113388491) is 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine is CC(N)Cc1cnc(N(C)C(C)C2CC2)nc1.
What is the InChIKey of 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine?
The InChIKey is OHTHAUNKTLWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(14)6-11-7-15-13(16-8-11)17(3)10(2)12-4-5-12/h7-10,12H,4-6,14H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine?
5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 113388491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).