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

C13H21N3O — CID 65329558

IUPAC2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(C2CCOC2)nc(C)c1C(C)CN
InChIInChI=1S/C13H21N3O/c1-8(6-14)12-9(2)15-13(16-10(12)3)11-4-5-17-7-11/h8,11H,4-7,14H2,1-3H3
InChIKeyAUFAWLRJWHVSFH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds3

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

2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine (PubChem CID 65329558) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
PubChem CID65329558
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(C2CCOC2)nc(C)c1C(C)CN
InChIInChI=1S/C13H21N3O/c1-8(6-14)12-9(2)15-13(16-10(12)3)11-4-5-17-7-11/h8,11H,4-7,14H2,1-3H3
InChIKeyAUFAWLRJWHVSFH-UHFFFAOYSA-N
XLogP1.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-(2-methoxyethyl)-N~4~-(tetrahydrofuran-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56914759
5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine
CID 125447737
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 55136170
2-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine
CID 62744207
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 62745292
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62755487
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62756188
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-propylpropan-1-amine
CID 62756192
N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 62756932
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 79959527
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine
CID 79959528
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 79965037

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine (CID 65329558) is 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine is Cc1nc(C2CCOC2)nc(C)c1C(C)CN.
What is the InChIKey of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is AUFAWLRJWHVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(6-14)12-9(2)15-13(16-10(12)3)11-4-5-17-7-11/h8,11H,4-7,14H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.66, 3 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-yl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 65329558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).