6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine

C16H29N3O — CID 103286435

IUPAC6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(C)CCC)c1C(C)C
InChIInChI=1S/C16H29N3O/c1-6-8-13(5)10-20-16-14(12(3)4)15(17-9-7-2)18-11-19-16/h11-13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyJDXBITUOVOQUSR-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.24
Rot. Bonds9

About 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 103286435) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID103286435
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(C)CCC)c1C(C)C
InChIInChI=1S/C16H29N3O/c1-6-8-13(5)10-20-16-14(12(3)4)15(17-9-7-2)18-11-19-16/h11-13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyJDXBITUOVOQUSR-UHFFFAOYSA-N
XLogP4.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858384
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80879410
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 116794391
6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 103286435) is 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCC(C)CCC)c1C(C)C.
What is the InChIKey of 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is JDXBITUOVOQUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-8-13(5)10-20-16-14(12(3)4)15(17-9-7-2)18-11-19-16/h11-13H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103286435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).