4-[(1S)-1-aminoethyl]pyrimidin-2-amine

C6H10N4 — CID 82418451

IUPAC4-[(1S)-1-aminoethyl]pyrimidin-2-amine
SMILESC[C@H](N)c1ccnc(N)n1
InChIInChI=1S/C6H10N4/c1-4(7)5-2-3-9-6(8)10-5/h2-4H,7H2,1H3,(H2,8,9,10)/t4-/m0/s1
InChIKeyYGEIATUDUWBVPV-BYPYZUCNSA-N
MW138.17 g/mol
LogP0.08
Rot. Bonds1

About 4-[(1S)-1-aminoethyl]pyrimidin-2-amine

4-[(1S)-1-aminoethyl]pyrimidin-2-amine (PubChem CID 82418451) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]pyrimidin-2-amine
PubChem CID82418451
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name4-[(1S)-1-aminoethyl]pyrimidin-2-amine
SMILESC[C@H](N)c1ccnc(N)n1
InChIInChI=1S/C6H10N4/c1-4(7)5-2-3-9-6(8)10-5/h2-4H,7H2,1H3,(H2,8,9,10)/t4-/m0/s1
InChIKeyYGEIATUDUWBVPV-BYPYZUCNSA-N
XLogP0.08
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentan-3-ylpyrimidin-2-amine
CID 90738361
4-[amino(phenyl)methyl]pyrimidin-2-amine
CID 112708629
1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
CID 84670120
4-[1-(2-chlorophenyl)sulfanylethyl]pyrimidin-2-amine
CID 67260945
4-(1-aminoethyl)-N-cyclopropylpyrimidin-2-amine
CID 130595504
1-pyrido[2,3-b]pyrazin-6-ylethanamine
CID 84654910
1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine
CID 164644483
4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine
CID 21149902
ethane;ethene;4-methylpyrimidin-2-amine
CID 142106657
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
CID 104830588
2-(trifluoromethyl)phenol;4-[(1R)-1-[2-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine
CID 162188811
4-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine
CID 67256854

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]pyrimidin-2-amine?
The IUPAC name of 4-[(1S)-1-aminoethyl]pyrimidin-2-amine (CID 82418451) is 4-[(1S)-1-aminoethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(1S)-1-aminoethyl]pyrimidin-2-amine is C[C@H](N)c1ccnc(N)n1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]pyrimidin-2-amine?
The InChIKey is YGEIATUDUWBVPV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N4/c1-4(7)5-2-3-9-6(8)10-5/h2-4H,7H2,1H3,(H2,8,9,10)/t4-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]pyrimidin-2-amine?
4-[(1S)-1-aminoethyl]pyrimidin-2-amine has a molecular weight of 138.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]pyrimidin-2-amine is sourced from PubChem (CID 82418451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).