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

C16H27N3O — CID 62745109

IUPACN-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CC2CCCO2)nc1C
InChIInChI=1S/C16H27N3O/c1-4-8-17-9-7-15-12(2)18-16(19-13(15)3)11-14-6-5-10-20-14/h14,17H,4-11H2,1-3H3
InChIKeyCCDTVABQFRVVHL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds7

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

N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 62745109) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID62745109
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CC2CCCO2)nc1C
InChIInChI=1S/C16H27N3O/c1-4-8-17-9-7-15-12(2)18-16(19-13(15)3)11-14-6-5-10-20-14/h14,17H,4-11H2,1-3H3
InChIKeyCCDTVABQFRVVHL-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.36
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

N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
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-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746560
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63106546
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 62745109) is N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(CC2CCCO2)nc1C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is CCDTVABQFRVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-8-17-9-7-15-12(2)18-16(19-13(15)3)11-14-6-5-10-20-14/h14,17H,4-11H2,1-3H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62745109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).