N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine

C16H15Cl2N5 — CID 46987942

IUPACN-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(NCc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C16H15Cl2N5/c1-10-13(9-23(2)22-10)15-5-6-19-16(21-15)20-8-11-7-12(17)3-4-14(11)18/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyOENBMQISYYEHRK-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.10
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine

N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46987942) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46987942
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(NCc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C16H15Cl2N5/c1-10-13(9-23(2)22-10)15-5-6-19-16(21-15)20-8-11-7-12(17)3-4-14(11)18/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyOENBMQISYYEHRK-UHFFFAOYSA-N
XLogP4.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
Pyrazolo[1,5-b]pyridazine deriv. 31
CID 6539373
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
3-Chloro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 90646678
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
4-Chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 156612922
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
7-(4-Chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 824033
2-{4-[(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]piperazino}pyrimidine
CID 1484420
6-(3-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1485558
4-[(2E)-2-(3-chlorobenzylidene)hydrazinyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine
CID 9635730

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46987942) is N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(NCc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is OENBMQISYYEHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5/c1-10-13(9-23(2)22-10)15-5-6-19-16(21-15)20-8-11-7-12(17)3-4-14(11)18/h3-7,9H,8H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 348.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46987942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).