N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C18H18Cl2N4O — CID 18505006

IUPACN-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)noc12)C1CC1
InChIInChI=1S/C18H18Cl2N4O/c1-3-14(10-4-5-10)23-18-17-16(21-9(2)22-18)15(24-25-17)12-7-6-11(19)8-13(12)20/h6-8,10,14H,3-5H2,1-2H3,(H,21,22,23)
InChIKeyVPEGMVMWYKHLIM-UHFFFAOYSA-N
MW377.28 g/mol
LogP5.50
Rot. Bonds5

About N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 18505006) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID18505006
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC NameN-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)noc12)C1CC1
InChIInChI=1S/C18H18Cl2N4O/c1-3-14(10-4-5-10)23-18-17-16(21-9(2)22-18)15(24-25-17)12-7-6-11(19)8-13(12)20/h6-8,10,14H,3-5H2,1-2H3,(H,21,22,23)
InChIKeyVPEGMVMWYKHLIM-UHFFFAOYSA-N
XLogP5.50
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 62705821
N-[(1S)-1-cyclopropylpropyl]-4-(2,4-dichlorophenyl)-3-nitropyridin-2-amine
CID 62705475
6-chloro-N-(1-cyclohexylpropyl)-2,5-dimethylpyrimidin-4-amine
CID 63728869
N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 70024966
N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 19374852
1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one
CID 10385581
5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23068437
4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374892
2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine
CID 90838020
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53043714
4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine
CID 22951026
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63347887

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 18505006) is N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is CCC(Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)noc12)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VPEGMVMWYKHLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-3-14(10-4-5-10)23-18-17-16(21-9(2)22-18)15(24-25-17)12-7-6-11(19)8-13(12)20/h6-8,10,14H,3-5H2,1-2H3,(H,21,22,23).
What are the key properties of N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 377.28 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 18505006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).