2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine

C14H22N4 — CID 172584668

IUPAC2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine
SMILESCC(C)c1nc(C(C)C)c2c(ccn2CCN)n1
InChIInChI=1S/C14H22N4/c1-9(2)12-13-11(5-7-18(13)8-6-15)16-14(17-12)10(3)4/h5,7,9-10H,6,8,15H2,1-4H3
InChIKeyIOMIGJCNLXFDKA-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.64
Rot. Bonds4

About 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine

2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine (PubChem CID 172584668) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine
PubChem CID172584668
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine
SMILESCC(C)c1nc(C(C)C)c2c(ccn2CCN)n1
InChIInChI=1S/C14H22N4/c1-9(2)12-13-11(5-7-18(13)8-6-15)16-14(17-12)10(3)4/h5,7,9-10H,6,8,15H2,1-4H3
InChIKeyIOMIGJCNLXFDKA-UHFFFAOYSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine (CID 172584668) is 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine is CC(C)c1nc(C(C)C)c2c(ccn2CCN)n1.
What is the InChIKey of 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine?
The InChIKey is IOMIGJCNLXFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9(2)12-13-11(5-7-18(13)8-6-15)16-14(17-12)10(3)4/h5,7,9-10H,6,8,15H2,1-4H3.
What are the key properties of 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine?
2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-di(propan-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 172584668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).