N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine

C12H18N4 — CID 23521491

IUPACN,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)c2c(C)c(C)n(C)c2n1
InChIInChI=1S/C12H18N4/c1-7-8(2)16(6)12-10(7)11(15(4)5)13-9(3)14-12/h1-6H3
InChIKeyIRSGWEOMUYECFL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds1

About N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine

N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 23521491) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID23521491
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)c2c(C)c(C)n(C)c2n1
InChIInChI=1S/C12H18N4/c1-7-8(2)16(6)12-10(7)11(15(4)5)13-9(3)14-12/h1-6H3
InChIKeyIRSGWEOMUYECFL-UHFFFAOYSA-N
XLogP1.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 23521491) is N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N(C)C)c2c(C)c(C)n(C)c2n1.
What is the InChIKey of N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IRSGWEOMUYECFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7-8(2)16(6)12-10(7)11(15(4)5)13-9(3)14-12/h1-6H3.
What are the key properties of N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine?
N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,5,6,7-hexamethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23521491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).