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

C13H23N5 — CID 57378135

IUPAC7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)C)c2c(n1)N(C)CC2
InChIInChI=1S/C13H23N5/c1-5-7-14-13-16-11(15-9(2)3)10-6-8-18(4)12(10)17-13/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyGQGDCWWZTFUUMJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.11
Rot. Bonds5

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

7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 57378135) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID57378135
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)C)c2c(n1)N(C)CC2
InChIInChI=1S/C13H23N5/c1-5-7-14-13-16-11(15-9(2)3)10-6-8-18(4)12(10)17-13/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyGQGDCWWZTFUUMJ-UHFFFAOYSA-N
XLogP2.11
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 57378135) is 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(C)C)c2c(n1)N(C)CC2.
What is the InChIKey of 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GQGDCWWZTFUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-5-7-14-13-16-11(15-9(2)3)10-6-8-18(4)12(10)17-13/h9H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-N-propan-2-yl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 57378135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).