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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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).