2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine

C18H24N6O — CID 110255683

IUPAC2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN2C2CCOCC2)n1
InChIInChI=1S/C18H24N6O/c1-13-21-15(12-17(22-13)23-18-19-7-3-8-20-18)16-4-2-9-24(16)14-5-10-25-11-6-14/h3,7-8,12,14,16H,2,4-6,9-11H2,1H3,(H,19,20,21,22,23)
InChIKeyPXVQTDXPOATXCT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine

2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 110255683) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID110255683
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN2C2CCOCC2)n1
InChIInChI=1S/C18H24N6O/c1-13-21-15(12-17(22-13)23-18-19-7-3-8-20-18)16-4-2-9-24(16)14-5-10-25-11-6-14/h3,7-8,12,14,16H,2,4-6,9-11H2,1H3,(H,19,20,21,22,23)
InChIKeyPXVQTDXPOATXCT-UHFFFAOYSA-N
XLogP2.63
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (CID 110255683) is 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc(C2CCCN2C2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is PXVQTDXPOATXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-21-15(12-17(22-13)23-18-19-7-3-8-20-18)16-4-2-9-24(16)14-5-10-25-11-6-14/h3,7-8,12,14,16H,2,4-6,9-11H2,1H3,(H,19,20,21,22,23).
What are the key properties of 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110255683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).