N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H14N4O — CID 110430211

IUPACN-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccco2)c2cc(C)[nH]c2n1
InChIInChI=1S/C13H14N4O/c1-8-6-11-12(14-7-10-4-3-5-18-10)16-9(2)17-13(11)15-8/h3-6H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyZTYNGZYFNXCQOW-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.78
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430211) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430211
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccco2)c2cc(C)[nH]c2n1
InChIInChI=1S/C13H14N4O/c1-8-6-11-12(14-7-10-4-3-5-18-10)16-9(2)17-13(11)15-8/h3-6H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyZTYNGZYFNXCQOW-UHFFFAOYSA-N
XLogP2.78
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164865767
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175574716
6-(2-amino-3,3-dimethylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574698
N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430260
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80980729
N-(furan-2-ylmethyl)-8-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 174269563
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566
N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003570
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430211) is N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccco2)c2cc(C)[nH]c2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZTYNGZYFNXCQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-6-11-12(14-7-10-4-3-5-18-10)16-9(2)17-13(11)15-8/h3-6H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 242.28 g/mol, XLogP of 2.78, 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)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).