4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine

C17H24N6 — CID 95829337

IUPAC4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N2CCC(c3ccnc(N(C)C)n3)CC2)n1
InChIInChI=1S/C17H24N6/c1-12-11-13(2)20-17(19-12)23-9-6-14(7-10-23)15-5-8-18-16(21-15)22(3)4/h5,8,11,14H,6-7,9-10H2,1-4H3
InChIKeyFMHOSRYKCAXCFV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds3

About 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine

4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 95829337) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID95829337
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N2CCC(c3ccnc(N(C)C)n3)CC2)n1
InChIInChI=1S/C17H24N6/c1-12-11-13(2)20-17(19-12)23-9-6-14(7-10-23)15-5-8-18-16(21-15)22(3)4/h5,8,11,14H,6-7,9-10H2,1-4H3
InChIKeyFMHOSRYKCAXCFV-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine (CID 95829337) is 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N2CCC(c3ccnc(N(C)C)n3)CC2)n1.
What is the InChIKey of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is FMHOSRYKCAXCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12-11-13(2)20-17(19-12)23-9-6-14(7-10-23)15-5-8-18-16(21-15)22(3)4/h5,8,11,14H,6-7,9-10H2,1-4H3.
What are the key properties of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine?
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95829337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).