2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

C17H29N3O — CID 103988030

IUPAC2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CC2CCOC2)nc(C)c1C(C)CNC(C)C
InChIInChI=1S/C17H29N3O/c1-11(2)18-9-12(3)17-13(4)19-16(20-14(17)5)8-15-6-7-21-10-15/h11-12,15,18H,6-10H2,1-5H3
InChIKeyMHPHXUWJEHFRMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.77
Rot. Bonds6

About 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 103988030) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID103988030
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CC2CCOC2)nc(C)c1C(C)CNC(C)C
InChIInChI=1S/C17H29N3O/c1-11(2)18-9-12(3)17-13(4)19-16(20-14(17)5)8-15-6-7-21-10-15/h11-12,15,18H,6-10H2,1-5H3
InChIKeyMHPHXUWJEHFRMW-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine with MolForge

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Related Compounds

6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
3-(oxolan-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 103987943
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 62756381
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
2-[2-(2-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 62758023
methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
CID 116647653
N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113361978
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 65137564

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (CID 103988030) is 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is Cc1nc(CC2CCOC2)nc(C)c1C(C)CNC(C)C.
What is the InChIKey of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is MHPHXUWJEHFRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11(2)18-9-12(3)17-13(4)19-16(20-14(17)5)8-15-6-7-21-10-15/h11-12,15,18H,6-10H2,1-5H3.
What are the key properties of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103988030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).