7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine

C14H22N6 — CID 71519347

IUPAC7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCCn1ccc2c(N3CCNCC3)nc(N)nc21
InChIInChI=1S/C14H22N6/c1-2-3-7-19-8-4-11-12(19)17-14(15)18-13(11)20-9-5-16-6-10-20/h4,8,16H,2-3,5-7,9-10H2,1H3,(H2,15,17,18)
InChIKeyKIQCKCDHHJFCMC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.22
Rot. Bonds4

About 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine

7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 71519347) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID71519347
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCCn1ccc2c(N3CCNCC3)nc(N)nc21
InChIInChI=1S/C14H22N6/c1-2-3-7-19-8-4-11-12(19)17-14(15)18-13(11)20-9-5-16-6-10-20/h4,8,16H,2-3,5-7,9-10H2,1H3,(H2,15,17,18)
InChIKeyKIQCKCDHHJFCMC-UHFFFAOYSA-N
XLogP1.22
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 71519347) is 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine is CCCCn1ccc2c(N3CCNCC3)nc(N)nc21.
What is the InChIKey of 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KIQCKCDHHJFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-2-3-7-19-8-4-11-12(19)17-14(15)18-13(11)20-9-5-16-6-10-20/h4,8,16H,2-3,5-7,9-10H2,1H3,(H2,15,17,18).
What are the key properties of 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71519347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).