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

C11H19N5 — CID 57378137

IUPAC4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC)c2c(n1)N(C)CC2
InChIInChI=1S/C11H19N5/c1-4-6-13-11-14-9(12-2)8-5-7-16(3)10(8)15-11/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeySXJIIBYIIGOWJH-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.33
Rot. Bonds4

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

4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 57378137) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID57378137
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC)c2c(n1)N(C)CC2
InChIInChI=1S/C11H19N5/c1-4-6-13-11-14-9(12-2)8-5-7-16(3)10(8)15-11/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeySXJIIBYIIGOWJH-UHFFFAOYSA-N
XLogP1.33
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 57378137) is 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC)c2c(n1)N(C)CC2.
What is the InChIKey of 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SXJIIBYIIGOWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-4-6-13-11-14-9(12-2)8-5-7-16(3)10(8)15-11/h4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 221.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 57378137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).