4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine

C12H21N5O — CID 114053208

IUPAC4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NC2CCN(C)C(C)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-8-6-9(4-5-17(8)2)14-10-7-11(18-3)16-12(13)15-10/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyDRPBABZSJVLIBH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.96
Rot. Bonds3

About 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine

4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine (PubChem CID 114053208) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine
PubChem CID114053208
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NC2CCN(C)C(C)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-8-6-9(4-5-17(8)2)14-10-7-11(18-3)16-12(13)15-10/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyDRPBABZSJVLIBH-UHFFFAOYSA-N
XLogP0.96
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine (CID 114053208) is 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine is COc1cc(NC2CCN(C)C(C)C2)nc(N)n1.
What is the InChIKey of 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine?
The InChIKey is DRPBABZSJVLIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-6-9(4-5-17(8)2)14-10-7-11(18-3)16-12(13)15-10/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine?
4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 114053208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).