N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine

C19H26N6O — CID 125027230

IUPACN-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine
SMILESCNc1cccc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1
InChIInChI=1S/C19H26N6O/c1-20-18-6-4-5-16(23-18)17-14-24(11-12-26-17)13-15-7-8-21-19(22-15)25-9-2-3-10-25/h4-8,17H,2-3,9-14H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyZZIFNKZHUZBTTI-QGZVFWFLSA-N
MW354.46 g/mol
LogP2.09
Rot. Bonds5

About N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine

N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine (PubChem CID 125027230) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine
PubChem CID125027230
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine
SMILESCNc1cccc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1
InChIInChI=1S/C19H26N6O/c1-20-18-6-4-5-16(23-18)17-14-24(11-12-26-17)13-15-7-8-21-19(22-15)25-9-2-3-10-25/h4-8,17H,2-3,9-14H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyZZIFNKZHUZBTTI-QGZVFWFLSA-N
XLogP2.09
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine (CID 125027230) is N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine is CNc1cccc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1.
What is the InChIKey of N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine?
The InChIKey is ZZIFNKZHUZBTTI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N6O/c1-20-18-6-4-5-16(23-18)17-14-24(11-12-26-17)13-15-7-8-21-19(22-15)25-9-2-3-10-25/h4-8,17H,2-3,9-14H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine?
N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine has a molecular weight of 354.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine is sourced from PubChem (CID 125027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).