4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

C16H19Cl2N5 — CID 22546792

IUPAC4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCC1CCN(c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)CC1
InChIInChI=1S/C16H19Cl2N5/c1-10-4-6-23(7-5-10)16-14(19)15(20-9-21-16)22-11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7,19H2,1H3,(H,20,21,22)
InChIKeyZCXVZNKWKKATKX-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.35
Rot. Bonds3

About 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 22546792) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID22546792
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCC1CCN(c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)CC1
InChIInChI=1S/C16H19Cl2N5/c1-10-4-6-23(7-5-10)16-14(19)15(20-9-21-16)22-11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7,19H2,1H3,(H,20,21,22)
InChIKeyZCXVZNKWKKATKX-UHFFFAOYSA-N
XLogP4.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 22546792) is 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is CC1CCN(c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)CC1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is ZCXVZNKWKKATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c1-10-4-6-23(7-5-10)16-14(19)15(20-9-21-16)22-11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 352.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22546792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).