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

C11H20ClN5 — CID 67774716

IUPAC4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCNc1nc(NC)c2c(n1)N(C)CC2.Cl
InChIInChI=1S/C11H19N5.ClH/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);1H
InChIKeySKXGIKHMMJHENY-UHFFFAOYSA-N
MW257.77 g/mol
LogP1.75
Rot. Bonds4

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

4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 67774716) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID67774716
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCNc1nc(NC)c2c(n1)N(C)CC2.Cl
InChIInChI=1S/C11H19N5.ClH/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);1H
InChIKeySKXGIKHMMJHENY-UHFFFAOYSA-N
XLogP1.75
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 51.75
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;hydrochloride?
The IUPAC name of 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 67774716) is 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride is CCCNc1nc(NC)c2c(n1)N(C)CC2.Cl.
What is the InChIKey of 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is SKXGIKHMMJHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5.ClH/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);1H.
What are the key properties of 4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
4-N,7-dimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 257.77 g/mol, XLogP of 1.75, 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;hydrochloride is sourced from PubChem (CID 67774716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).