(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol

C10H17N3O — CID 79253689

IUPAC(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccncn1
InChIInChI=1S/C10H17N3O/c1-8(2)10(6-14)12-5-9-3-4-11-7-13-9/h3-4,7-8,10,12,14H,5-6H2,1-2H3/t10-/m1/s1
InChIKeyFQGABTJNZBTJQF-SNVBAGLBSA-N
MW195.27 g/mol
LogP0.58
Rot. Bonds5

About (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol

(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol (PubChem CID 79253689) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
PubChem CID79253689
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccncn1
InChIInChI=1S/C10H17N3O/c1-8(2)10(6-14)12-5-9-3-4-11-7-13-9/h3-4,7-8,10,12,14H,5-6H2,1-2H3/t10-/m1/s1
InChIKeyFQGABTJNZBTJQF-SNVBAGLBSA-N
XLogP0.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 104868735
4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol
CID 106348940
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760766
N,N-dimethyl-2-(pyrimidin-4-ylmethylamino)propanamide
CID 62760933
ethyl 2-(pyrimidin-4-ylmethylamino)propanoate
CID 62749095
1-(2,5-dichlorophenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110724
(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759109
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106387875
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol (CID 79253689) is (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol is CC(C)[C@@H](CO)NCc1ccncn1.
What is the InChIKey of (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
The InChIKey is FQGABTJNZBTJQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)10(6-14)12-5-9-3-4-11-7-13-9/h3-4,7-8,10,12,14H,5-6H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 79253689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).