4-pentan-2-yloxy-N-propylpyrimidin-2-amine

C12H21N3O — CID 102989423

IUPAC4-pentan-2-yloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OC(C)CCC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-10(3)16-11-7-9-14-12(15-11)13-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyHMKUAFATJKHRMY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.87
Rot. Bonds7

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

4-pentan-2-yloxy-N-propylpyrimidin-2-amine (PubChem CID 102989423) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-pentan-2-yloxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-pentan-2-yloxy-N-propylpyrimidin-2-amine
PubChem CID102989423
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-pentan-2-yloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OC(C)CCC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-10(3)16-11-7-9-14-12(15-11)13-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyHMKUAFATJKHRMY-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
The IUPAC name of 4-pentan-2-yloxy-N-propylpyrimidin-2-amine (CID 102989423) is 4-pentan-2-yloxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-pentan-2-yloxy-N-propylpyrimidin-2-amine is CCCNc1nccc(OC(C)CCC)n1.
What is the InChIKey of 4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
The InChIKey is HMKUAFATJKHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-10(3)16-11-7-9-14-12(15-11)13-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
4-pentan-2-yloxy-N-propylpyrimidin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yloxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 102989423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).