1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine

C17H30N4 — CID 75497176

IUPAC1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCc1ncc(C(C)NC[C@@H]2CCCN2CC(C)C)c(C)n1
InChIInChI=1S/C17H30N4/c1-12(2)11-21-8-6-7-16(21)9-18-13(3)17-10-19-15(5)20-14(17)4/h10,12-13,16,18H,6-9,11H2,1-5H3/t13?,16-/m0/s1
InChIKeyXKOGTNTUUIJEJI-VYIIXAMBSA-N
MW290.46 g/mol
LogP2.86
Rot. Bonds6

About 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine

1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 75497176) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID75497176
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCc1ncc(C(C)NC[C@@H]2CCCN2CC(C)C)c(C)n1
InChIInChI=1S/C17H30N4/c1-12(2)11-21-8-6-7-16(21)9-18-13(3)17-10-19-15(5)20-14(17)4/h10,12-13,16,18H,6-9,11H2,1-5H3/t13?,16-/m0/s1
InChIKeyXKOGTNTUUIJEJI-VYIIXAMBSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine (CID 75497176) is 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine is Cc1ncc(C(C)NC[C@@H]2CCCN2CC(C)C)c(C)n1.
What is the InChIKey of 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is XKOGTNTUUIJEJI-VYIIXAMBSA-N. The full InChI is InChI=1S/C17H30N4/c1-12(2)11-21-8-6-7-16(21)9-18-13(3)17-10-19-15(5)20-14(17)4/h10,12-13,16,18H,6-9,11H2,1-5H3/t13?,16-/m0/s1.
What are the key properties of 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 290.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 75497176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).