N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine

C15H17Cl2N3 — CID 81492186

IUPACN-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N3/c1-15(2,3)19-9-11-6-7-18-14(20-11)10-4-5-12(16)13(17)8-10/h4-8,19H,9H2,1-3H3
InChIKeyDHJDFBIQRASARF-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.34
Rot. Bonds3

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

N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 81492186) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID81492186
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC NameN-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N3/c1-15(2,3)19-9-11-6-7-18-14(20-11)10-4-5-12(16)13(17)8-10/h4-8,19H,9H2,1-3H3
InChIKeyDHJDFBIQRASARF-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (CID 81492186) is N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DHJDFBIQRASARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-15(2,3)19-9-11-6-7-18-14(20-11)10-4-5-12(16)13(17)8-10/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.23 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81492186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).