2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine

C13H21N3O — CID 116892590

IUPAC2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
SMILESCc1cc(C2CCOCC2)nc(C(C)(C)N)n1
InChIInChI=1S/C13H21N3O/c1-9-8-11(10-4-6-17-7-5-10)16-12(15-9)13(2,3)14/h8,10H,4-7,14H2,1-3H3
InChIKeyUFCPTQWMLHIWCQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds2

About 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine

2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine (PubChem CID 116892590) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
PubChem CID116892590
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
SMILESCc1cc(C2CCOCC2)nc(C(C)(C)N)n1
InChIInChI=1S/C13H21N3O/c1-9-8-11(10-4-6-17-7-5-10)16-12(15-9)13(2,3)14/h8,10H,4-7,14H2,1-3H3
InChIKeyUFCPTQWMLHIWCQ-UHFFFAOYSA-N
XLogP1.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine
CID 63318667
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893658
2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine
CID 63318666
2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318995
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893068
1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile
CID 116857963
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)-2-methylpropan-2-amine
CID 116892859
N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine
CID 116896609

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine?
The IUPAC name of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine (CID 116892590) is 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine is Cc1cc(C2CCOCC2)nc(C(C)(C)N)n1.
What is the InChIKey of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine?
The InChIKey is UFCPTQWMLHIWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-11(10-4-6-17-7-5-10)16-12(15-9)13(2,3)14/h8,10H,4-7,14H2,1-3H3.
What are the key properties of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine?
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116892590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).