4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C14H20N4 — CID 139004861

IUPAC4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCC1(C)CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H20N4/c1-3-14(2)6-4-8-18(9-14)13-11-5-7-15-12(11)16-10-17-13/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyUUACFNVJLLJWNP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds2

About 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 139004861) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID139004861
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCC1(C)CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H20N4/c1-3-14(2)6-4-8-18(9-14)13-11-5-7-15-12(11)16-10-17-13/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyUUACFNVJLLJWNP-UHFFFAOYSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
CID 90265129
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 122559840
4-(1-propylsulfanyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167097568
4-[4-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167866922
(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
CID 129267667
2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
CID 58293327
4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 141448679
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 155953699
3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile
CID 50913914
4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 58293282
(5S)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95726431
(4aR,8aS)-8a-ethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,8-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
CID 135242363

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 139004861) is 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CCC1(C)CCCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is UUACFNVJLLJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-14(2)6-4-8-18(9-14)13-11-5-7-15-12(11)16-10-17-13/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 139004861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).