(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine

C9H11N5 — CID 165485208

IUPAC(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1ncccn1
InChIInChI=1S/C9H11N5/c10-8(4-7-5-11-6-14-7)9-12-2-1-3-13-9/h1-3,5-6,8H,4,10H2,(H,11,14)/t8-/m0/s1
InChIKeyKFANDHDIXMSYBI-QMMMGPOBSA-N
MW189.22 g/mol
LogP0.44
Rot. Bonds3

About (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine

(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine (PubChem CID 165485208) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
PubChem CID165485208
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1ncccn1
InChIInChI=1S/C9H11N5/c10-8(4-7-5-11-6-14-7)9-12-2-1-3-13-9/h1-3,5-6,8H,4,10H2,(H,11,14)/t8-/m0/s1
InChIKeyKFANDHDIXMSYBI-QMMMGPOBSA-N
XLogP0.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
(1R)-2-(1H-imidazol-5-yl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29282542
(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 134344750
2-amino-3-(1H-imidazol-5-yl)propanedithioic acid
CID 174454561
1-chloro-3-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride
CID 19812378
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine
CID 104895432
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydron;chloride;hydrate
CID 74764184
1-(1H-imidazol-5-yl)pentan-2-amine
CID 84752942
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
2-amino-3-(1H-imidazol-5-yl)propanal;dihydrochloride
CID 87164507

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine (CID 165485208) is (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine is N[C@@H](Cc1cnc[nH]1)c1ncccn1.
What is the InChIKey of (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine?
The InChIKey is KFANDHDIXMSYBI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11N5/c10-8(4-7-5-11-6-14-7)9-12-2-1-3-13-9/h1-3,5-6,8H,4,10H2,(H,11,14)/t8-/m0/s1.
What are the key properties of (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine?
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine has a molecular weight of 189.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 165485208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).