N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine

C15H25N3O — CID 62745830

IUPACN-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(CC2CCCO2)nc1C
InChIInChI=1S/C15H25N3O/c1-4-7-16-10-14-11(2)17-15(18-12(14)3)9-13-6-5-8-19-13/h13,16H,4-10H2,1-3H3
InChIKeyQZDFFNHOMUVWHT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.31
Rot. Bonds6

About N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 62745830) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID62745830
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(CC2CCCO2)nc1C
InChIInChI=1S/C15H25N3O/c1-4-7-16-10-14-11(2)17-15(18-12(14)3)9-13-6-5-8-19-13/h13,16H,4-10H2,1-3H3
InChIKeyQZDFFNHOMUVWHT-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.31
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

N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746560
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
CID 55113677
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 61269964
N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65334784
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43183574
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine (CID 62745830) is N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1c(C)nc(CC2CCCO2)nc1C.
What is the InChIKey of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is QZDFFNHOMUVWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-16-10-14-11(2)17-15(18-12(14)3)9-13-6-5-8-19-13/h13,16H,4-10H2,1-3H3.
What are the key properties of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62745830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).