(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine

C10H17N3O — CID 135132665

IUPAC(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
SMILESCC[C@H](OC)[C@@H](N)Cc1ncccn1
InChIInChI=1S/C10H17N3O/c1-3-9(14-2)8(11)7-10-12-5-4-6-13-10/h4-6,8-9H,3,7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyFXIKFEIMYXQIRR-IUCAKERBSA-N
MW195.27 g/mol
LogP0.77
Rot. Bonds5

About (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine

(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine (PubChem CID 135132665) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
PubChem CID135132665
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
SMILESCC[C@H](OC)[C@@H](N)Cc1ncccn1
InChIInChI=1S/C10H17N3O/c1-3-9(14-2)8(11)7-10-12-5-4-6-13-10/h4-6,8-9H,3,7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyFXIKFEIMYXQIRR-IUCAKERBSA-N
XLogP0.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine
CID 135132893
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
CID 171618148
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
3-methoxy-1-naphthalen-1-ylpentan-2-amine
CID 116715173
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
3-ethoxy-1-pyridin-2-ylpentan-2-amine
CID 116716297

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine?
The IUPAC name of (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine (CID 135132665) is (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine.
What is the SMILES notation for (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine?
The canonical SMILES for (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine is CC[C@H](OC)[C@@H](N)Cc1ncccn1.
What is the InChIKey of (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine?
The InChIKey is FXIKFEIMYXQIRR-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9(14-2)8(11)7-10-12-5-4-6-13-10/h4-6,8-9H,3,7,11H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine?
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine is sourced from PubChem (CID 135132665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).