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

C12H22ClN5 — CID 67772526

IUPAC2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCNc1nc(NCCC)c2c(n1)NCC2.Cl
InChIInChI=1S/C12H21N5.ClH/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);1H
InChIKeyXHBIOPHUQTWFEF-UHFFFAOYSA-N
MW271.80 g/mol
LogP2.51
Rot. Bonds6

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

2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 67772526) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID67772526
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCNc1nc(NCCC)c2c(n1)NCC2.Cl
InChIInChI=1S/C12H21N5.ClH/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);1H
InChIKeyXHBIOPHUQTWFEF-UHFFFAOYSA-N
XLogP2.51
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 52.51
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;hydrochloride?
The IUPAC name of 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 67772526) is 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride is CCCNc1nc(NCCC)c2c(n1)NCC2.Cl.
What is the InChIKey of 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is XHBIOPHUQTWFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.ClH/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);1H.
What are the key properties of 2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
2-N,4-N-dipropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 271.80 g/mol, XLogP of 2.51, 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;hydrochloride is sourced from PubChem (CID 67772526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).