(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine

C9H13N3 — CID 130642514

IUPAC(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
SMILESN[C@@H](CC1CC1)c1cncnc1
InChIInChI=1S/C9H13N3/c10-9(3-7-1-2-7)8-4-11-6-12-5-8/h4-7,9H,1-3,10H2/t9-/m0/s1
InChIKeyKTCZGWCRRRSYNF-VIFPVBQESA-N
MW163.22 g/mol
LogP1.28
Rot. Bonds3

About (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine

(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine (PubChem CID 130642514) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
PubChem CID130642514
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
SMILESN[C@@H](CC1CC1)c1cncnc1
InChIInChI=1S/C9H13N3/c10-9(3-7-1-2-7)8-4-11-6-12-5-8/h4-7,9H,1-3,10H2/t9-/m0/s1
InChIKeyKTCZGWCRRRSYNF-VIFPVBQESA-N
XLogP1.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
5-(1-amino-2-cyclopropylethyl)pyridin-2-amine
CID 55294489
1-pyrimidin-5-ylbut-3-en-1-amine
CID 55296439
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 131028526
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine (CID 130642514) is (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine is N[C@@H](CC1CC1)c1cncnc1.
What is the InChIKey of (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine?
The InChIKey is KTCZGWCRRRSYNF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13N3/c10-9(3-7-1-2-7)8-4-11-6-12-5-8/h4-7,9H,1-3,10H2/t9-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine?
(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 130642514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).