4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

C14H20N4 — CID 110430224

IUPAC4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCCC2)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H20N4/c1-10-9-12-13(15-10)16-11(2)17-14(12)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJPMMQWLJQIBDFT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.96
Rot. Bonds1

About 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 110430224) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID110430224
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCCC2)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H20N4/c1-10-9-12-13(15-10)16-11(2)17-14(12)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJPMMQWLJQIBDFT-UHFFFAOYSA-N
XLogP2.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110430461
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430903
6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole
CID 14293792
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91960994
ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 91960999
4-(azepan-1-yl)-7-bromo-2-methylquinazoline
CID 69428086
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10589936

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (CID 110430224) is 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1nc(N2CCCCCC2)c2cc(C)[nH]c2n1.
What is the InChIKey of 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JPMMQWLJQIBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-9-12-13(15-10)16-11(2)17-14(12)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110430224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).