N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

C18H29N5 — CID 166241604

IUPACN'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1c(C)n(C2CCCC2)c2ncnc(N(C)CCN(C)C)c12
InChIInChI=1S/C18H29N5/c1-13-14(2)23(15-8-6-7-9-15)18-16(13)17(19-12-20-18)22(5)11-10-21(3)4/h12,15H,6-11H2,1-5H3
InChIKeySGKNTSBPKBVXTD-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.16
Rot. Bonds5

About N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 166241604) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID166241604
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC NameN'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1c(C)n(C2CCCC2)c2ncnc(N(C)CCN(C)C)c12
InChIInChI=1S/C18H29N5/c1-13-14(2)23(15-8-6-7-9-15)18-16(13)17(19-12-20-18)22(5)11-10-21(3)4/h12,15H,6-11H2,1-5H3
InChIKeySGKNTSBPKBVXTD-UHFFFAOYSA-N
XLogP3.16
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 166241604) is N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is Cc1c(C)n(C2CCCC2)c2ncnc(N(C)CCN(C)C)c12.
What is the InChIKey of N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is SGKNTSBPKBVXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-13-14(2)23(15-8-6-7-9-15)18-16(13)17(19-12-20-18)22(5)11-10-21(3)4/h12,15H,6-11H2,1-5H3.
What are the key properties of N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 315.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 166241604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).