5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine

C12H10N4O — CID 44530976

IUPAC5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc3ccccc3o2)c(N)n1
InChIInChI=1S/C12H10N4O/c13-11-8(6-15-12(14)16-11)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H4,13,14,15,16)
InChIKeySZNFPAGZWGCWSP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.05
Rot. Bonds1

About 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine

5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine (PubChem CID 44530976) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine
PubChem CID44530976
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc3ccccc3o2)c(N)n1
InChIInChI=1S/C12H10N4O/c13-11-8(6-15-12(14)16-11)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H4,13,14,15,16)
InChIKeySZNFPAGZWGCWSP-UHFFFAOYSA-N
XLogP2.05
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine
CID 290208
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 15
CID 6539749
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 20
CID 6539754
N-benzyl-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 1596636
5-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 5329801
6-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 5329802
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11603022
5-Benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 44423534
5,6-Bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 905708
2-[2-(1-benzofuran-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162661275
N-(2-aminoethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 11236121

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine (CID 44530976) is 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine is Nc1ncc(-c2cc3ccccc3o2)c(N)n1.
What is the InChIKey of 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine?
The InChIKey is SZNFPAGZWGCWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-11-8(6-15-12(14)16-11)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H4,13,14,15,16).
What are the key properties of 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine?
5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine has a molecular weight of 226.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44530976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).