N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H12Cl2N4O — CID 99844641

IUPACN-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)Cc3cccc(Cl)c3Cl)c12
InChIInChI=1S/C14H12Cl2N4O/c1-8-11-13(17-7-18-14(11)21-19-8)20(2)6-9-4-3-5-10(15)12(9)16/h3-5,7H,6H2,1-2H3
InChIKeyVLEYODNVONZHNU-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.87
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 99844641) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID99844641
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)Cc3cccc(Cl)c3Cl)c12
InChIInChI=1S/C14H12Cl2N4O/c1-8-11-13(17-7-18-14(11)21-19-8)20(2)6-9-4-3-5-10(15)12(9)16/h3-5,7H,6H2,1-2H3
InChIKeyVLEYODNVONZHNU-UHFFFAOYSA-N
XLogP3.87
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 51135200
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126779509
2-[methyl-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-pyridin-3-ylethanol
CID 138019831
N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 106641932
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72908975
N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126785250
4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 107306399
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol
CID 126780283
5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630036
N-(3-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924668
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 103604235

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 99844641) is N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(N(C)Cc3cccc(Cl)c3Cl)c12.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VLEYODNVONZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-8-11-13(17-7-18-14(11)21-19-8)20(2)6-9-4-3-5-10(15)12(9)16/h3-5,7H,6H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 323.18 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 99844641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).