5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H21N5O — CID 167933059

IUPAC5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCN(OC)CC3)c12
InChIInChI=1S/C14H21N5O/c1-3-10-8-15-13-12(10)14(17-9-16-13)18-11-4-6-19(20-2)7-5-11/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyCBDPOZHXLMRHMI-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.96
Rot. Bonds4

About 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167933059) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167933059
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCN(OC)CC3)c12
InChIInChI=1S/C14H21N5O/c1-3-10-8-15-13-12(10)14(17-9-16-13)18-11-4-6-19(20-2)7-5-11/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyCBDPOZHXLMRHMI-UHFFFAOYSA-N
XLogP1.96
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
4-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-N,1-N,1-trimethylcyclohexane-1,4-diamine
CID 167793726
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167967827
[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
CID 167971272
5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167799843
N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167960214
5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167867661
3-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 167991764
ethyl 4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 146361976
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 154786301

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167933059) is 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NC3CCN(OC)CC3)c12.
What is the InChIKey of 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CBDPOZHXLMRHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-10-8-15-13-12(10)14(17-9-16-13)18-11-4-6-19(20-2)7-5-11/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167933059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).