2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine

C16H28N4O — CID 133417448

IUPAC2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC[C@@H]2CCCN2CC(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)10-20-7-5-6-14(20)9-17-15-8-13(3)18-16(19-15)11-21-4/h8,12,14H,5-7,9-11H2,1-4H3,(H,17,18,19)/t14-/m0/s1
InChIKeyXKGGAGIXURHTIY-AWEZNQCLSA-N
MW292.43 g/mol
LogP2.46
Rot. Bonds7

About 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine

2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 133417448) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID133417448
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC[C@@H]2CCCN2CC(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)10-20-7-5-6-14(20)9-17-15-8-13(3)18-16(19-15)11-21-4/h8,12,14H,5-7,9-11H2,1-4H3,(H,17,18,19)/t14-/m0/s1
InChIKeyXKGGAGIXURHTIY-AWEZNQCLSA-N
XLogP2.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 133417448) is 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine is COCc1nc(C)cc(NC[C@@H]2CCCN2CC(C)C)n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is XKGGAGIXURHTIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)10-20-7-5-6-14(20)9-17-15-8-13(3)18-16(19-15)11-21-4/h8,12,14H,5-7,9-11H2,1-4H3,(H,17,18,19)/t14-/m0/s1.
What are the key properties of 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133417448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).