4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

C12H21N5 — CID 57378136

IUPAC4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)C)c2c(n1)N(C)CC2
InChIInChI=1S/C12H21N5/c1-5-7-13-12-14-10(16(2)3)9-6-8-17(4)11(9)15-12/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyQUNBKZMIORZVDY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.36
Rot. Bonds4

About 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 57378136) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID57378136
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)C)c2c(n1)N(C)CC2
InChIInChI=1S/C12H21N5/c1-5-7-13-12-14-10(16(2)3)9-6-8-17(4)11(9)15-12/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyQUNBKZMIORZVDY-UHFFFAOYSA-N
XLogP1.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 57378136) is 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(N(C)C)c2c(n1)N(C)CC2.
What is the InChIKey of 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QUNBKZMIORZVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-5-7-13-12-14-10(16(2)3)9-6-8-17(4)11(9)15-12/h5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 57378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).