2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine

C14H23N3O — CID 80988065

IUPAC2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
SMILESCCCCCOc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C14H23N3O/c1-4-5-6-9-18-14-10(2)12(15-3)16-13(17-14)11-7-8-11/h11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyUVRWIHAHRAGPOZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.27
Rot. Bonds7

About 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine

2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine (PubChem CID 80988065) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
PubChem CID80988065
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
SMILESCCCCCOc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C14H23N3O/c1-4-5-6-9-18-14-10(2)12(15-3)16-13(17-14)11-7-8-11/h11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyUVRWIHAHRAGPOZ-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N,5-dimethyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989314
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80989714
2-cyclopropyl-N,5-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990031
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
2-cyclopropyl-6-(2-cyclopropylethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 106207562
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
2-cyclopropyl-6-[2-(dimethylamino)ethoxy]-N-ethyl-5-methylpyrimidin-4-amine
CID 80988193
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
CID 80989739
6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
CID 82456312
2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
CID 114471119
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988724

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine (CID 80988065) is 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine is CCCCCOc1nc(C2CC2)nc(NC)c1C.
What is the InChIKey of 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine?
The InChIKey is UVRWIHAHRAGPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-6-9-18-14-10(2)12(15-3)16-13(17-14)11-7-8-11/h11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine?
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine is sourced from PubChem (CID 80988065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).