(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

C11H19N3O — CID 133434731

IUPAC(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1ccnc(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(7-15)13-10-5-6-12-11(14-10)8(2)3/h5-6,8-9,15H,4,7H2,1-3H3,(H,12,13,14)/t9-/m1/s1
InChIKeyPXXKBTYCJJDWPX-SECBINFHSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds5

About (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 133434731) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID133434731
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1ccnc(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(7-15)13-10-5-6-12-11(14-10)8(2)3/h5-6,8-9,15H,4,7H2,1-3H3,(H,12,13,14)/t9-/m1/s1
InChIKeyPXXKBTYCJJDWPX-SECBINFHSA-N
XLogP1.78
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 130720526
N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 130621650
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866
2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060352
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
2-(pyrazin-2-ylamino)butan-1-ol
CID 43388780
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83828266
2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817
N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (CID 133434731) is (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is CC[C@H](CO)Nc1ccnc(C(C)C)n1.
What is the InChIKey of (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is PXXKBTYCJJDWPX-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(7-15)13-10-5-6-12-11(14-10)8(2)3/h5-6,8-9,15H,4,7H2,1-3H3,(H,12,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 133434731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).