2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine

C14H13Cl2N3O — CID 170568300

IUPAC2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine
SMILESCC1(C)OCc2cc(Nc3nc(Cl)ncc3Cl)ccc21
InChIInChI=1S/C14H13Cl2N3O/c1-14(2)10-4-3-9(5-8(10)7-20-14)18-12-11(15)6-17-13(16)19-12/h3-6H,7H2,1-2H3,(H,17,18,19)
InChIKeyNZRYJJRQDGXBNL-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.29
Rot. Bonds2

About 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine

2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine (PubChem CID 170568300) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine
PubChem CID170568300
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine
SMILESCC1(C)OCc2cc(Nc3nc(Cl)ncc3Cl)ccc21
InChIInChI=1S/C14H13Cl2N3O/c1-14(2)10-4-3-9(5-8(10)7-20-14)18-12-11(15)6-17-13(16)19-12/h3-6H,7H2,1-2H3,(H,17,18,19)
InChIKeyNZRYJJRQDGXBNL-UHFFFAOYSA-N
XLogP4.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
1-[6-[[5-chloro-4-[(3,3-dimethyl-1H-2-benzofuran-5-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanone
CID 170568303
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79639322
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
8-[(2,5-dichloropyrimidin-4-yl)amino]-1,4-diethyl-2,3-dihydro-1,4-benzodiazepin-5-one
CID 86633909
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
CID 114262554
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide
CID 171491386

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine (CID 170568300) is 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine is CC1(C)OCc2cc(Nc3nc(Cl)ncc3Cl)ccc21.
What is the InChIKey of 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine?
The InChIKey is NZRYJJRQDGXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-14(2)10-4-3-9(5-8(10)7-20-14)18-12-11(15)6-17-13(16)19-12/h3-6H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine?
2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine has a molecular weight of 310.18 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 170568300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).