1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C18H23N5O — CID 110430946

IUPAC1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNc2ncnc3[nH]c(C)cc23)N(C)C)cc1
InChIInChI=1S/C18H23N5O/c1-12-9-15-17(20-11-21-18(15)22-12)19-10-16(23(2)3)13-5-7-14(24-4)8-6-13/h5-9,11,16H,10H2,1-4H3,(H2,19,20,21,22)
InChIKeyDQPAZEMLICSDPF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.99
Rot. Bonds6

About 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 110430946) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID110430946
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNc2ncnc3[nH]c(C)cc23)N(C)C)cc1
InChIInChI=1S/C18H23N5O/c1-12-9-15-17(20-11-21-18(15)22-12)19-10-16(23(2)3)13-5-7-14(24-4)8-6-13/h5-9,11,16H,10H2,1-4H3,(H2,19,20,21,22)
InChIKeyDQPAZEMLICSDPF-UHFFFAOYSA-N
XLogP2.99
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430105
1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110430705
6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430906
N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164985861
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430140
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430525
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 17401866
(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 41077002
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 110430946) is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is COc1ccc(C(CNc2ncnc3[nH]c(C)cc23)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is DQPAZEMLICSDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-9-15-17(20-11-21-18(15)22-12)19-10-16(23(2)3)13-5-7-14(24-4)8-6-13/h5-9,11,16H,10H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 325.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 110430946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).