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

C12H22ClN5 — CID 67773083

IUPAC4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCNc1nc(N(C)C)c2c(n1)N(C)CC2.Cl
InChIInChI=1S/C12H21N5.ClH/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);1H
InChIKeyQUVDYQMXOFUOCH-UHFFFAOYSA-N
MW271.80 g/mol
LogP1.78
Rot. Bonds4

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

4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 67773083) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 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;hydrochloride.

Molecular Properties

Compound Name4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID67773083
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCNc1nc(N(C)C)c2c(n1)N(C)CC2.Cl
InChIInChI=1S/C12H21N5.ClH/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);1H
InChIKeyQUVDYQMXOFUOCH-UHFFFAOYSA-N
XLogP1.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;hydrochloride?
The IUPAC name of 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 67773083) is 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
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;hydrochloride?
The canonical SMILES for 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride is CCCNc1nc(N(C)C)c2c(n1)N(C)CC2.Cl.
What is the InChIKey of 4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is QUVDYQMXOFUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.ClH/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);1H.
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;hydrochloride?
4-N,4-N,7-trimethyl-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 271.80 g/mol, XLogP of 1.78, 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;hydrochloride is sourced from PubChem (CID 67773083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).