2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C22H32N6O — CID 138501427

IUPAC2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C22H32N6O/c1-17-5-3-7-24-22(17)20-6-4-9-28(20)16-19-15-21(26-18(2)25-19)23-8-10-27-11-13-29-14-12-27/h3,5,7,15,20H,4,6,8-14,16H2,1-2H3,(H,23,25,26)/t20-/m0/s1
InChIKeyARQGNJZTDBMURV-FQEVSTJZSA-N
MW396.54 g/mol
LogP2.57
Rot. Bonds7

About 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 138501427) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID138501427
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C22H32N6O/c1-17-5-3-7-24-22(17)20-6-4-9-28(20)16-19-15-21(26-18(2)25-19)23-8-10-27-11-13-29-14-12-27/h3,5,7,15,20H,4,6,8-14,16H2,1-2H3,(H,23,25,26)/t20-/m0/s1
InChIKeyARQGNJZTDBMURV-FQEVSTJZSA-N
XLogP2.57
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 138501427) is 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is ARQGNJZTDBMURV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32N6O/c1-17-5-3-7-24-22(17)20-6-4-9-28(20)16-19-15-21(26-18(2)25-19)23-8-10-27-11-13-29-14-12-27/h3,5,7,15,20H,4,6,8-14,16H2,1-2H3,(H,23,25,26)/t20-/m0/s1.
What are the key properties of 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 396.54 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 138501427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).