2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C12H21N5 — CID 57378241

IUPAC2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCC)c2c(n1)NCC2
InChIInChI=1S/C12H21N5/c1-3-6-13-10-9-5-8-14-11(9)17-12(16-10)15-7-4-2/h3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyICRLMTFXFRKKFZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds6

About 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 57378241) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID57378241
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCC)c2c(n1)NCC2
InChIInChI=1S/C12H21N5/c1-3-6-13-10-9-5-8-14-11(9)17-12(16-10)15-7-4-2/h3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyICRLMTFXFRKKFZ-UHFFFAOYSA-N
XLogP2.09
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 57378241) is 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NCCC)c2c(n1)NCC2.
What is the InChIKey of 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ICRLMTFXFRKKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-6-13-10-9-5-8-14-11(9)17-12(16-10)15-7-4-2/h3-8H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 57378241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).