N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine

C15H25N3O — CID 131907958

IUPACN-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(NCCCCC2CCCO2)nc1
InChIInChI=1S/C15H25N3O/c1-12(2)13-10-17-15(18-11-13)16-8-4-3-6-14-7-5-9-19-14/h10-12,14H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHNIVCXQFVNFWPU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine

N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine (PubChem CID 131907958) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine
PubChem CID131907958
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(NCCCCC2CCCO2)nc1
InChIInChI=1S/C15H25N3O/c1-12(2)13-10-17-15(18-11-13)16-8-4-3-6-14-7-5-9-19-14/h10-12,14H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHNIVCXQFVNFWPU-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.36
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

5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
CID 103990682
N-(2-piperidin-2-ylethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116975975
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65161041
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163282
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine (CID 131907958) is N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine is CC(C)c1cnc(NCCCCC2CCCO2)nc1.
What is the InChIKey of N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine?
The InChIKey is HNIVCXQFVNFWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)13-10-17-15(18-11-13)16-8-4-3-6-14-7-5-9-19-14/h10-12,14H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine?
N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 131907958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).