5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C18H23ClN6O2 — CID 133344717

IUPAC5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCc1noc(C)c1CN(C)c1ncc(Cl)c(N(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C18H23ClN6O2/c1-10-14(12(3)26-22-10)8-24(5)17-16(19)7-20-18(21-17)25(6)9-15-11(2)23-27-13(15)4/h7H,8-9H2,1-6H3
InChIKeyQQNMOCWYAKEBFD-UHFFFAOYSA-N
MW390.88 g/mol
LogP3.61
Rot. Bonds6

About 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 133344717) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID133344717
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCc1noc(C)c1CN(C)c1ncc(Cl)c(N(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C18H23ClN6O2/c1-10-14(12(3)26-22-10)8-24(5)17-16(19)7-20-18(21-17)25(6)9-15-11(2)23-27-13(15)4/h7H,8-9H2,1-6H3
InChIKeyQQNMOCWYAKEBFD-UHFFFAOYSA-N
XLogP3.61
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol
CID 133381559
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133291035
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 77092811
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 55680416
3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079
5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 61115628
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 133344717) is 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is Cc1noc(C)c1CN(C)c1ncc(Cl)c(N(C)Cc2c(C)noc2C)n1.
What is the InChIKey of 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is QQNMOCWYAKEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-10-14(12(3)26-22-10)8-24(5)17-16(19)7-20-18(21-17)25(6)9-15-11(2)23-27-13(15)4/h7H,8-9H2,1-6H3.
What are the key properties of 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 390.88 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133344717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).