ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H21N5O — CID 145262507

IUPACethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.COc1ccc(N(C)c2nc(C)nc3[nH]ccc23)nc1
InChIInChI=1S/C14H15N5O.C2H6/c1-9-17-13-11(6-7-15-13)14(18-9)19(2)12-5-4-10(20-3)8-16-12;1-2/h4-8H,1-3H3,(H,15,17,18);1-2H3
InChIKeyDWPKFLZSBUBCPC-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.46
Rot. Bonds3

About ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 145262507) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID145262507
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Nameethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.COc1ccc(N(C)c2nc(C)nc3[nH]ccc23)nc1
InChIInChI=1S/C14H15N5O.C2H6/c1-9-17-13-11(6-7-15-13)14(18-9)19(2)12-5-4-10(20-3)8-16-12;1-2/h4-8H,1-3H3,(H,15,17,18);1-2H3
InChIKeyDWPKFLZSBUBCPC-UHFFFAOYSA-N
XLogP3.46
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine
CID 171795791
2-[(5-methoxy-2-pyridinyl)-methylamino]-2-methylpropan-1-ol
CID 106504679
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
4-chloro-5-[2-(4-methoxyphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786375
2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 130614883
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947
3-[2-(4-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 19005036
2-methyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 130251266
N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
CID 107174074
N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine
CID 126620624
ethane;5-methoxy-2-methylpyrimidine
CID 143166828
2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 140914955

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 145262507) is ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC.COc1ccc(N(C)c2nc(C)nc3[nH]ccc23)nc1.
What is the InChIKey of ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DWPKFLZSBUBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.C2H6/c1-9-17-13-11(6-7-15-13)14(18-9)19(2)12-5-4-10(20-3)8-16-12;1-2/h4-8H,1-3H3,(H,15,17,18);1-2H3.
What are the key properties of ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 145262507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).