2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine

C14H20N4 — CID 82664860

IUPAC2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(C3CCCNC3)cn(C)c2n1
InChIInChI=1S/C14H20N4/c1-9-13-12(11-5-4-6-15-7-11)8-18(3)14(13)17-10(2)16-9/h8,11,15H,4-7H2,1-3H3
InChIKeyZISLZDHANXNBGC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.05
Rot. Bonds1

About 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine

2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 82664860) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine
PubChem CID82664860
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(C3CCCNC3)cn(C)c2n1
InChIInChI=1S/C14H20N4/c1-9-13-12(11-5-4-6-15-7-11)8-18(3)14(13)17-10(2)16-9/h8,11,15H,4-7H2,1-3H3
InChIKeyZISLZDHANXNBGC-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
CID 96743464
1,5-dimethyl-6-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 142415545
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825
3-(5-methoxy-1-methylpyrazol-4-yl)piperidine
CID 82606364
2-methyl-8-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83832036
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4-piperidin-3-ylpyrazolo[1,5-a]pyridine
CID 83831871
3,8-dimethyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115037396
3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
CID 105478412
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine (CID 82664860) is 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine is Cc1nc(C)c2c(C3CCCNC3)cn(C)c2n1.
What is the InChIKey of 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is ZISLZDHANXNBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-13-12(11-5-4-6-15-7-11)8-18(3)14(13)17-10(2)16-9/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine?
2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 82664860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).