N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine

C18H25N5O — CID 110113986

IUPACN-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
SMILESCNc1cc(CCC2CN(Cc3cnc(C)nc3)CCO2)ccn1
InChIInChI=1S/C18H25N5O/c1-14-21-10-16(11-22-14)12-23-7-8-24-17(13-23)4-3-15-5-6-20-18(9-15)19-2/h5-6,9-11,17H,3-4,7-8,12-13H2,1-2H3,(H,19,20)
InChIKeyIVDOSJNKZVEICV-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine

N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine (PubChem CID 110113986) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
PubChem CID110113986
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
SMILESCNc1cc(CCC2CN(Cc3cnc(C)nc3)CCO2)ccn1
InChIInChI=1S/C18H25N5O/c1-14-21-10-16(11-22-14)12-23-7-8-24-17(13-23)4-3-15-5-6-20-18(9-15)19-2/h5-6,9-11,17H,3-4,7-8,12-13H2,1-2H3,(H,19,20)
InChIKeyIVDOSJNKZVEICV-UHFFFAOYSA-N
XLogP2.06
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine (CID 110113986) is N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine is CNc1cc(CCC2CN(Cc3cnc(C)nc3)CCO2)ccn1.
What is the InChIKey of N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is IVDOSJNKZVEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-21-10-16(11-22-14)12-23-7-8-24-17(13-23)4-3-15-5-6-20-18(9-15)19-2/h5-6,9-11,17H,3-4,7-8,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 110113986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).