N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine

C13H21N3 — CID 63319051

IUPACN-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine
SMILESCCCc1cc(C2CC2)nc(CNCC)n1
InChIInChI=1S/C13H21N3/c1-3-5-11-8-12(10-6-7-10)16-13(15-11)9-14-4-2/h8,10,14H,3-7,9H2,1-2H3
InChIKeyNBLYVNONTLWZOF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds6

About N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine

N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine (PubChem CID 63319051) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine
PubChem CID63319051
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine
SMILESCCCc1cc(C2CC2)nc(CNCC)n1
InChIInChI=1S/C13H21N3/c1-3-5-11-8-12(10-6-7-10)16-13(15-11)9-14-4-2/h8,10,14H,3-7,9H2,1-2H3
InChIKeyNBLYVNONTLWZOF-UHFFFAOYSA-N
XLogP2.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine (CID 63319051) is N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine is CCCc1cc(C2CC2)nc(CNCC)n1.
What is the InChIKey of N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine?
The InChIKey is NBLYVNONTLWZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-5-11-8-12(10-6-7-10)16-13(15-11)9-14-4-2/h8,10,14H,3-7,9H2,1-2H3.
What are the key properties of N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine?
N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63319051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).