N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C7H9ClN4 — CID 175758651

IUPACN-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCNc1ncnc2[nH]ccc12.Cl
InChIInChI=1S/C7H8N4.ClH/c1-8-6-5-2-3-9-7(5)11-4-10-6;/h2-4H,1H3,(H2,8,9,10,11);1H
InChIKeyGOYDFCMGGQZDOJ-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.42
Rot. Bonds1

About N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175758651) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID175758651
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC NameN-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCNc1ncnc2[nH]ccc12.Cl
InChIInChI=1S/C7H8N4.ClH/c1-8-6-5-2-3-9-7(5)11-4-10-6;/h2-4H,1H3,(H2,8,9,10,11);1H
InChIKeyGOYDFCMGGQZDOJ-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 175758651) is N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is CNc1ncnc2[nH]ccc12.Cl.
What is the InChIKey of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is GOYDFCMGGQZDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.ClH/c1-8-6-5-2-3-9-7(5)11-4-10-6;/h2-4H,1H3,(H2,8,9,10,11);1H.
What are the key properties of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 184.63 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175758651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).