N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine

C10H16ClN3O — CID 112639274

IUPACN-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(CCl)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)15-9-4-5-12-10(14-9)13-8(3)6-11/h4-5,7-8H,6H2,1-3H3,(H,12,13,14)
InChIKeyVBQDCDROIYXUBY-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.30
Rot. Bonds5

About N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine

N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112639274) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112639274
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(CCl)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)15-9-4-5-12-10(14-9)13-8(3)6-11/h4-5,7-8H,6H2,1-3H3,(H,12,13,14)
InChIKeyVBQDCDROIYXUBY-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
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
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-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2-chloro-4,4-dimethylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 107156071
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine (CID 112639274) is N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine is CC(CCl)Nc1nccc(OC(C)C)n1.
What is the InChIKey of N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is VBQDCDROIYXUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(2)15-9-4-5-12-10(14-9)13-8(3)6-11/h4-5,7-8H,6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112639274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).