2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine

C18H15Cl2N5O — CID 141275090

IUPAC2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2c(c1)NCO2
InChIInChI=1S/C18H15Cl2N5O/c1-10-8-21-18(24-14-5-11(19)4-12(20)6-14)25-17(10)23-13-2-3-16-15(7-13)22-9-26-16/h2-8,22H,9H2,1H3,(H2,21,23,24,25)
InChIKeyUIKLTDIFAAKDHU-UHFFFAOYSA-N
MW388.26 g/mol
LogP5.34
Rot. Bonds4

About 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine

2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine (PubChem CID 141275090) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine
PubChem CID141275090
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC Name2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2c(c1)NCO2
InChIInChI=1S/C18H15Cl2N5O/c1-10-8-21-18(24-14-5-11(19)4-12(20)6-14)25-17(10)23-13-2-3-16-15(7-13)22-9-26-16/h2-8,22H,9H2,1H3,(H2,21,23,24,25)
InChIKeyUIKLTDIFAAKDHU-UHFFFAOYSA-N
XLogP5.34
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.26
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

6-[[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one;6-[[4-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;2-N,4-N-bis(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 160708060
6-[[2-(3,5-dichloroanilino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 66555895
2-N-(1,3-benzodioxol-5-yl)-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112906443
5-[[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659370
2-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 159014037
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 118889554
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
5-[[2-[3-chloro-5-(difluoromethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659525
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
2-N-(1,3-benzodioxol-5-yl)-4-N-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932015
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
5-[[5-methyl-2-(3,4,5-trimethylanilino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 58071391

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine (CID 141275090) is 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2c(c1)NCO2.
What is the InChIKey of 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is UIKLTDIFAAKDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-10-8-21-18(24-14-5-11(19)4-12(20)6-14)25-17(10)23-13-2-3-16-15(7-13)22-9-26-16/h2-8,22H,9H2,1H3,(H2,21,23,24,25).
What are the key properties of 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine?
2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 388.26 g/mol, XLogP of 5.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dichlorophenyl)-4-N-(2,3-dihydro-1,3-benzoxazol-5-yl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 141275090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).