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

C20H28N6O — CID 110095417

IUPAC6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc(C2CCCCN2CC2CCOCC2)n1
InChIInChI=1S/C20H28N6O/c1-15-13-18(25-20-21-8-4-9-22-20)24-19(23-15)17-5-2-3-10-26(17)14-16-6-11-27-12-7-16/h4,8-9,13,16-17H,2-3,5-7,10-12,14H2,1H3,(H,21,22,23,24,25)
InChIKeyPRRWOQHFBKWNCW-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.27
Rot. Bonds5

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

6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 110095417) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID110095417
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc(C2CCCCN2CC2CCOCC2)n1
InChIInChI=1S/C20H28N6O/c1-15-13-18(25-20-21-8-4-9-22-20)24-19(23-15)17-5-2-3-10-26(17)14-16-6-11-27-12-7-16/h4,8-9,13,16-17H,2-3,5-7,10-12,14H2,1H3,(H,21,22,23,24,25)
InChIKeyPRRWOQHFBKWNCW-UHFFFAOYSA-N
XLogP3.27
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (CID 110095417) is 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1cc(Nc2ncccn2)nc(C2CCCCN2CC2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is PRRWOQHFBKWNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-13-18(25-20-21-8-4-9-22-20)24-19(23-15)17-5-2-3-10-26(17)14-16-6-11-27-12-7-16/h4,8-9,13,16-17H,2-3,5-7,10-12,14H2,1H3,(H,21,22,23,24,25).
What are the key properties of 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110095417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).