N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C11H11ClN4O — CID 154681081

IUPACN-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.c1coc(CNc2ncnc3[nH]ccc23)c1
InChIInChI=1S/C11H10N4O.ClH/c1-2-8(16-5-1)6-13-11-9-3-4-12-10(9)14-7-15-11;/h1-5,7H,6H2,(H2,12,13,14,15);1H
InChIKeyJEHNGFKRAFSBDL-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.58
Rot. Bonds3

About N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 154681081) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID154681081
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.c1coc(CNc2ncnc3[nH]ccc23)c1
InChIInChI=1S/C11H10N4O.ClH/c1-2-8(16-5-1)6-13-11-9-3-4-12-10(9)14-7-15-11;/h1-5,7H,6H2,(H2,12,13,14,15);1H
InChIKeyJEHNGFKRAFSBDL-UHFFFAOYSA-N
XLogP2.58
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
N-(furan-2-ylmethyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 162654166
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 2837436
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 154681081) is N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.c1coc(CNc2ncnc3[nH]ccc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is JEHNGFKRAFSBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O.ClH/c1-2-8(16-5-1)6-13-11-9-3-4-12-10(9)14-7-15-11;/h1-5,7H,6H2,(H2,12,13,14,15);1H.
What are the key properties of N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 250.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 154681081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).