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

C16H27N3O — CID 62746560

IUPACN-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CC2CCCO2)nc(C)c1CNCC(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)9-17-10-15-12(3)18-16(19-13(15)4)8-14-6-5-7-20-14/h11,14,17H,5-10H2,1-4H3
InChIKeyJYCLGVZOGISVSG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.56
Rot. Bonds6

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

N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62746560) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62746560
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CC2CCCO2)nc(C)c1CNCC(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)9-17-10-15-12(3)18-16(19-13(15)4)8-14-6-5-7-20-14/h11,14,17H,5-10H2,1-4H3
InChIKeyJYCLGVZOGISVSG-UHFFFAOYSA-N
XLogP2.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 62756381
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
CID 55113677
[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]propanoic acid
CID 61269964
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746721
N-[[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 115347182
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 62746560) is N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(CC2CCCO2)nc(C)c1CNCC(C)C.
What is the InChIKey of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JYCLGVZOGISVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)9-17-10-15-12(3)18-16(19-13(15)4)8-14-6-5-7-20-14/h11,14,17H,5-10H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.56, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 62746560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).