5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine

C17H30N6 — CID 122154146

IUPAC5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCc1c(NC2CCN(C)CC2)ncnc1NC1CCN(C)CC1
InChIInChI=1S/C17H30N6/c1-13-16(20-14-4-8-22(2)9-5-14)18-12-19-17(13)21-15-6-10-23(3)11-7-15/h12,14-15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyWWLUDMKOTBNOCM-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.80
Rot. Bonds4

About 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine

5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 122154146) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID122154146
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC Name5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCc1c(NC2CCN(C)CC2)ncnc1NC1CCN(C)CC1
InChIInChI=1S/C17H30N6/c1-13-16(20-14-4-8-22(2)9-5-14)18-12-19-17(13)21-15-6-10-23(3)11-7-15/h12,14-15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyWWLUDMKOTBNOCM-UHFFFAOYSA-N
XLogP1.80
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine (CID 122154146) is 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine is Cc1c(NC2CCN(C)CC2)ncnc1NC1CCN(C)CC1.
What is the InChIKey of 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is WWLUDMKOTBNOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-13-16(20-14-4-8-22(2)9-5-14)18-12-19-17(13)21-15-6-10-23(3)11-7-15/h12,14-15H,4-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 318.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 122154146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).