4-propan-2-yloxy-N-propylpyrimidin-2-amine

C10H17N3O — CID 80860726

IUPAC4-propan-2-yloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C10H17N3O/c1-4-6-11-10-12-7-5-9(13-10)14-8(2)3/h5,7-8H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyBHXUELXMXFQKKR-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.09
Rot. Bonds5

About 4-propan-2-yloxy-N-propylpyrimidin-2-amine

4-propan-2-yloxy-N-propylpyrimidin-2-amine (PubChem CID 80860726) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-N-propylpyrimidin-2-amine
PubChem CID80860726
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-propan-2-yloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C10H17N3O/c1-4-6-11-10-12-7-5-9(13-10)14-8(2)3/h5,7-8H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyBHXUELXMXFQKKR-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989423
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637500

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-propylpyrimidin-2-amine?
The IUPAC name of 4-propan-2-yloxy-N-propylpyrimidin-2-amine (CID 80860726) is 4-propan-2-yloxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-N-propylpyrimidin-2-amine is CCCNc1nccc(OC(C)C)n1.
What is the InChIKey of 4-propan-2-yloxy-N-propylpyrimidin-2-amine?
The InChIKey is BHXUELXMXFQKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-6-11-10-12-7-5-9(13-10)14-8(2)3/h5,7-8H,4,6H2,1-3H3,(H,11,12,13).
What are the key properties of 4-propan-2-yloxy-N-propylpyrimidin-2-amine?
4-propan-2-yloxy-N-propylpyrimidin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80860726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).