(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol

C9H15N3O — CID 104868735

IUPAC(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1ccncn1
InChIInChI=1S/C9H15N3O/c1-2-8(6-13)11-5-9-3-4-10-7-12-9/h3-4,7-8,11,13H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyICRIWPSCLIMVOI-MRVPVSSYSA-N
MW181.24 g/mol
LogP0.34
Rot. Bonds5

About (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol

(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol (PubChem CID 104868735) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
PubChem CID104868735
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1ccncn1
InChIInChI=1S/C9H15N3O/c1-2-8(6-13)11-5-9-3-4-10-7-12-9/h3-4,7-8,11,13H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyICRIWPSCLIMVOI-MRVPVSSYSA-N
XLogP0.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
(2-Ethylpyrimidin-4-yl)methanamine
CID 45080066
(2-Methoxypyrimidin-4-yl)methanamine
CID 55262952
Methyl[(pyrimidin-4-yl)methyl]amine dihydrochloride
CID 75485360
(2R)-2-(pyrimidin-2-ylamino)butan-1-ol
CID 57328192
[1-[6-[(2-Methylpyrimidin-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144598
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
CID 75444256
N-Butyl-4-methylpyrimidin-2-amine
CID 62958720
N,N-dimethyl-4-((methylamino)methyl)pyrimidin-2-amine
CID 62749331
(2-Methoxypyrimidin-4-yl)methanamine dihydrochloride
CID 122404770
2-[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
CID 2795939
2-(4-Methylpyrimidin-2-yl)ethan-1-ol
CID 53484537

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol (CID 104868735) is (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol is CC[C@H](CO)NCc1ccncn1.
What is the InChIKey of (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
The InChIKey is ICRIWPSCLIMVOI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-8(6-13)11-5-9-3-4-10-7-12-9/h3-4,7-8,11,13H,2,5-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol?
(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 104868735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).