2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C16H22N4O2 — CID 82456714

IUPAC2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccncc2)cc(OCC(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-12(2)10-22-16-8-14(19-15(20-16)11-21-3)18-9-13-4-6-17-7-5-13/h4-8,12H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyBMEFQSHXUMMPIT-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.66
Rot. Bonds8

About 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 82456714) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID82456714
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccncc2)cc(OCC(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-12(2)10-22-16-8-14(19-15(20-16)11-21-3)18-9-13-4-6-17-7-5-13/h4-8,12H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyBMEFQSHXUMMPIT-UHFFFAOYSA-N
XLogP2.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498
N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456699
N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 82456706
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456727

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 82456714) is 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is COCc1nc(NCc2ccncc2)cc(OCC(C)C)n1.
What is the InChIKey of 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is BMEFQSHXUMMPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)10-22-16-8-14(19-15(20-16)11-21-3)18-9-13-4-6-17-7-5-13/h4-8,12H,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).