6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine

C18H23N7O — CID 136531950

IUPAC6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(c3nc(C)nc4[nH]ccc34)CC2)ncn1
InChIInChI=1S/C18H23N7O/c1-3-26-16-10-15(20-11-21-16)24-13-5-8-25(9-6-13)18-14-4-7-19-17(14)22-12(2)23-18/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3,(H,19,22,23)(H,20,21,24)
InChIKeyYHDVTLPLMQTUAX-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.54
Rot. Bonds5

About 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine

6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 136531950) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID136531950
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(c3nc(C)nc4[nH]ccc34)CC2)ncn1
InChIInChI=1S/C18H23N7O/c1-3-26-16-10-15(20-11-21-16)24-13-5-8-25(9-6-13)18-14-4-7-19-17(14)22-12(2)23-18/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3,(H,19,22,23)(H,20,21,24)
InChIKeyYHDVTLPLMQTUAX-UHFFFAOYSA-N
XLogP2.54
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 75509073
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
6-methoxy-N-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888305
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 133490993
2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 172903254
N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 99773777
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (CID 136531950) is 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine is CCOc1cc(NC2CCN(c3nc(C)nc4[nH]ccc34)CC2)ncn1.
What is the InChIKey of 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is YHDVTLPLMQTUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-26-16-10-15(20-11-21-16)24-13-5-8-25(9-6-13)18-14-4-7-19-17(14)22-12(2)23-18/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3,(H,19,22,23)(H,20,21,24).
What are the key properties of 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 136531950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).