3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol

C11H17N3O2 — CID 80988848

IUPAC3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
SMILESCc1c(N)nc(C2CC2)nc1OCCCO
InChIInChI=1S/C11H17N3O2/c1-7-9(12)13-10(8-3-4-8)14-11(7)16-6-2-5-15/h8,15H,2-6H2,1H3,(H2,12,13,14)
InChIKeyNFNAVLHRHQUXTN-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.01
Rot. Bonds5

About 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol

3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol (PubChem CID 80988848) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
PubChem CID80988848
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
SMILESCc1c(N)nc(C2CC2)nc1OCCCO
InChIInChI=1S/C11H17N3O2/c1-7-9(12)13-10(8-3-4-8)14-11(7)16-6-2-5-15/h8,15H,2-6H2,1H3,(H2,12,13,14)
InChIKeyNFNAVLHRHQUXTN-UHFFFAOYSA-N
XLogP1.01
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408390
2-cyclopropyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568199
2-cyclopropyl-6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine
CID 80989181
2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80989298
6-(cyclohexylmethoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80991242
3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80989324
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80986308
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
The IUPAC name of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol (CID 80988848) is 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
The canonical SMILES for 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol is Cc1c(N)nc(C2CC2)nc1OCCCO.
What is the InChIKey of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
The InChIKey is NFNAVLHRHQUXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-9(12)13-10(8-3-4-8)14-11(7)16-6-2-5-15/h8,15H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol has a molecular weight of 223.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol is sourced from PubChem (CID 80988848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).