2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C10H11ClN6 — CID 141264710

IUPAC2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3c2CNC3)c1
InChIInChI=1S/C10H11ClN6/c1-17-4-8(13-5-17)15-9-6-2-12-3-7(6)14-10(11)16-9/h4-5,12H,2-3H2,1H3,(H,14,15,16)
InChIKeyZCWDPIMGUGNOLZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.21
Rot. Bonds2

About 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 141264710) has the molecular formula C10H11ClN6 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID141264710
Molecular FormulaC10H11ClN6
Molecular Weight250.69 g/mol
Exact Mass250.07
IUPAC Name2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3c2CNC3)c1
InChIInChI=1S/C10H11ClN6/c1-17-4-8(13-5-17)15-9-6-2-12-3-7(6)14-10(11)16-9/h4-5,12H,2-3H2,1H3,(H,14,15,16)
InChIKeyZCWDPIMGUGNOLZ-UHFFFAOYSA-N
XLogP1.21
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 141264710) is 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is Cn1cnc(Nc2nc(Cl)nc3c2CNC3)c1.
What is the InChIKey of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZCWDPIMGUGNOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6/c1-17-4-8(13-5-17)15-9-6-2-12-3-7(6)14-10(11)16-9/h4-5,12H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 250.69 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141264710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).