3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol

C11H19N3O2 — CID 112638478

IUPAC3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)16-10-4-6-12-11(14-10)13-9(3)5-7-15/h4,6,8-9,15H,5,7H2,1-3H3,(H,12,13,14)
InChIKeyMYLVCFZJRBMVOO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.45
Rot. Bonds6

About 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol

3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol (PubChem CID 112638478) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
PubChem CID112638478
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)16-10-4-6-12-11(14-10)13-9(3)5-7-15/h4,6,8-9,15H,5,7H2,1-3H3,(H,12,13,14)
InChIKeyMYLVCFZJRBMVOO-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 112637409
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 112636994
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 115974723
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247
3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol (CID 112638478) is 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol is CC(CCO)Nc1nccc(OC(C)C)n1.
What is the InChIKey of 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol?
The InChIKey is MYLVCFZJRBMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)16-10-4-6-12-11(14-10)13-9(3)5-7-15/h4,6,8-9,15H,5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol?
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 112638478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).