6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine

C13H13ClN4O — CID 32877213

IUPAC6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NC[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C13H13ClN4O/c14-11-6-12(18-13(15)17-11)16-7-9-5-8-3-1-2-4-10(8)19-9/h1-4,6,9H,5,7H2,(H3,15,16,17,18)/t9-/m1/s1
InChIKeySDPYLCFOAJLSFA-SECBINFHSA-N
MW276.73 g/mol
LogP2.13
Rot. Bonds3

About 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 32877213) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID32877213
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NC[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C13H13ClN4O/c14-11-6-12(18-13(15)17-11)16-7-9-5-8-3-1-2-4-10(8)19-9/h1-4,6,9H,5,7H2,(H3,15,16,17,18)/t9-/m1/s1
InChIKeySDPYLCFOAJLSFA-SECBINFHSA-N
XLogP2.13
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidine-2,4-diamine
CID 42943703
6-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547099
4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
CID 62233370
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
CID 78988897
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598
2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
CID 62232831
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62233906
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80903962
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80797490
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80821761
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine (CID 32877213) is 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NC[C@H]2Cc3ccccc3O2)n1.
What is the InChIKey of 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is SDPYLCFOAJLSFA-SECBINFHSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-6-12(18-13(15)17-11)16-7-9-5-8-3-1-2-4-10(8)19-9/h1-4,6,9H,5,7H2,(H3,15,16,17,18)/t9-/m1/s1.
What are the key properties of 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 276.73 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 32877213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).