N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H31N5O2 — CID 171513463

IUPACN-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C24H31N5O2/c1-28(15-19-6-10-30-11-7-19)24-21-14-22(27-23(21)25-17-26-24)20-4-2-18(3-5-20)16-29-8-12-31-13-9-29/h2-5,14,17,19H,6-13,15-16H2,1H3,(H,25,26,27)
InChIKeyKBRVIVSDRMRBCO-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.32
Rot. Bonds6

About N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 171513463) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID171513463
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C24H31N5O2/c1-28(15-19-6-10-30-11-7-19)24-21-14-22(27-23(21)25-17-26-24)20-4-2-18(3-5-20)16-29-8-12-31-13-9-29/h2-5,14,17,19H,6-13,15-16H2,1H3,(H,25,26,27)
InChIKeyKBRVIVSDRMRBCO-UHFFFAOYSA-N
XLogP3.32
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenyl)-N-methyl-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513406
N-[(3-chlorophenyl)methyl]-N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513327
6-(3-aminophenyl)-N-methyl-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513359
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 85331374
N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11223091
N-[(1R)-1-(4-chlorophenyl)ethyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69181764
N-[(2-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69179639
N-(3-chloro-4-fluorophenyl)-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69179588
N-benzyl-N-(1,3-dioxol-4-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69179831
4-[[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperazine-1-carboxylic acid
CID 175073157
6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69313848
5-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71736279

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 171513463) is N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12.
What is the InChIKey of N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KBRVIVSDRMRBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28(15-19-6-10-30-11-7-19)24-21-14-22(27-23(21)25-17-26-24)20-4-2-18(3-5-20)16-29-8-12-31-13-9-29/h2-5,14,17,19H,6-13,15-16H2,1H3,(H,25,26,27).
What are the key properties of N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 421.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171513463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).