5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol

C13H23N3O2 — CID 107318107

IUPAC5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cc(OC(C)C)nc(NCCCCCO)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)18-12-9-11(3)15-13(16-12)14-7-5-4-6-8-17/h9-10,17H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyPYVKDXNIKQVNBT-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.15
Rot. Bonds8

About 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol

5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 107318107) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
PubChem CID107318107
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cc(OC(C)C)nc(NCCCCCO)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)18-12-9-11(3)15-13(16-12)14-7-5-4-6-8-17/h9-10,17H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyPYVKDXNIKQVNBT-UHFFFAOYSA-N
XLogP2.15
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.15
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

6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 112637072
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol (CID 107318107) is 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol is Cc1cc(OC(C)C)nc(NCCCCCO)n1.
What is the InChIKey of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is PYVKDXNIKQVNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)18-12-9-11(3)15-13(16-12)14-7-5-4-6-8-17/h9-10,17H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 107318107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).