2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C18H20Cl2N8 — CID 155175792

IUPAC2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(Cl)c(-n3cc([C@H]4CCCN4)nn3)c2Cl)n1
InChIInChI=1S/C18H20Cl2N8/c1-10-8-15(21-2)25-18(23-10)24-13-6-5-11(19)17(16(13)20)28-9-14(26-27-28)12-4-3-7-22-12/h5-6,8-9,12,22H,3-4,7H2,1-2H3,(H2,21,23,24,25)/t12-/m1/s1
InChIKeyYNJOXMNYQGWFLG-GFCCVEGCSA-N
MW419.32 g/mol
LogP3.88
Rot. Bonds5

About 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 155175792) has the molecular formula C18H20Cl2N8 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID155175792
Molecular FormulaC18H20Cl2N8
Molecular Weight419.32 g/mol
Exact Mass418.12
IUPAC Name2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(Cl)c(-n3cc([C@H]4CCCN4)nn3)c2Cl)n1
InChIInChI=1S/C18H20Cl2N8/c1-10-8-15(21-2)25-18(23-10)24-13-6-5-11(19)17(16(13)20)28-9-14(26-27-28)12-4-3-7-22-12/h5-6,8-9,12,22H,3-4,7H2,1-2H3,(H2,21,23,24,25)/t12-/m1/s1
InChIKeyYNJOXMNYQGWFLG-GFCCVEGCSA-N
XLogP3.88
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146554185
2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine
CID 165488704
3-chloro-2-[4-(methylaminomethyl)pyrazol-1-yl]-6-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzonitrile
CID 146339174
2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 153405928
5-chloro-7-fluoro-N-methyl-6-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]spiro[1H-indole-3,1'-cyclobutane]-2-imine
CID 155175865
4,6-dimethyl-N-(5-piperidin-2-yl-2-pyridinyl)pyrimidin-2-amine
CID 110266713
6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95836671
N-methyl-6-[(2S)-pyrrolidin-2-yl]pyrazin-2-amine
CID 92615120
2-N-[2-fluoro-4-methoxy-3-(5,6,7,8-tetrahydro-4H-pyrazolo[4,3-c]azepin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 155175835
2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 151454764
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445

Frequently Asked Questions

What is the IUPAC name of 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 155175792) is 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(Cl)c(-n3cc([C@H]4CCCN4)nn3)c2Cl)n1.
What is the InChIKey of 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is YNJOXMNYQGWFLG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20Cl2N8/c1-10-8-15(21-2)25-18(23-10)24-13-6-5-11(19)17(16(13)20)28-9-14(26-27-28)12-4-3-7-22-12/h5-6,8-9,12,22H,3-4,7H2,1-2H3,(H2,21,23,24,25)/t12-/m1/s1.
What are the key properties of 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 419.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 155175792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).