N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H23N5O3 — CID 91961212

IUPACN-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc3[nH]c(C)cc23)c(OC)c1
InChIInChI=1S/C19H23N5O3/c1-12-10-14-17(20-12)22-19(24-6-8-27-9-7-24)23-18(14)21-15-5-4-13(25-2)11-16(15)26-3/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23)
InChIKeyHAJAHJJQFDKSQR-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.86
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91961212) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91961212
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc3[nH]c(C)cc23)c(OC)c1
InChIInChI=1S/C19H23N5O3/c1-12-10-14-17(20-12)22-19(24-6-8-27-9-7-24)23-18(14)21-15-5-4-13(25-2)11-16(15)26-3/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23)
InChIKeyHAJAHJJQFDKSQR-UHFFFAOYSA-N
XLogP2.86
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961196
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
N-(2,4-dimethoxyphenyl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912177
N-butan-2-yl-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961262
N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine
CID 2067296
N',N'-diethyl-N-(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 91961243
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961246
2-[(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 91961106
6-methyl-N-(4-phenoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961019
[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 91961212) is N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2nc(N3CCOCC3)nc3[nH]c(C)cc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HAJAHJJQFDKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-10-14-17(20-12)22-19(24-6-8-27-9-7-24)23-18(14)21-15-5-4-13(25-2)11-16(15)26-3/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91961212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).