N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine

C17H27N3O — CID 62756381

IUPACN-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(CC2CCCO2)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H27N3O/c1-11(10-18-14-6-7-14)17-12(2)19-16(20-13(17)3)9-15-5-4-8-21-15/h11,14-15,18H,4-10H2,1-3H3
InChIKeyUNYNHCLUWLHNPJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.67
Rot. Bonds6

About N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine

N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 62756381) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID62756381
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(CC2CCCO2)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H27N3O/c1-11(10-18-14-6-7-14)17-12(2)19-16(20-13(17)3)9-15-5-4-8-21-15/h11,14-15,18H,4-10H2,1-3H3
InChIKeyUNYNHCLUWLHNPJ-UHFFFAOYSA-N
XLogP2.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.67
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]cyclopropanamine
CID 62746529
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746560
N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 65138253
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
CID 55113677
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
[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
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
CID 114899221
N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078191
N-[2-(oxolan-2-ylmethyl)butyl]cyclopropanamine
CID 62548272

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine (CID 62756381) is N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine is Cc1nc(CC2CCCO2)nc(C)c1C(C)CNC1CC1.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is UNYNHCLUWLHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11(10-18-14-6-7-14)17-12(2)19-16(20-13(17)3)9-15-5-4-8-21-15/h11,14-15,18H,4-10H2,1-3H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 2.67, 6 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]propyl]cyclopropanamine is sourced from PubChem (CID 62756381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).