methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate

C15H25N5O2 — CID 50971847

IUPACmethyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(Nc2ncc(C)c(N(C)C)n2)CC1
InChIInChI=1S/C15H25N5O2/c1-11-9-16-15(18-14(11)19(2)3)17-12-5-7-20(8-6-12)10-13(21)22-4/h9,12H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyKBCWVDURVWONET-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.90
Rot. Bonds5

About methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate

methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate (PubChem CID 50971847) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate
PubChem CID50971847
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Namemethyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(Nc2ncc(C)c(N(C)C)n2)CC1
InChIInChI=1S/C15H25N5O2/c1-11-9-16-15(18-14(11)19(2)3)17-12-5-7-20(8-6-12)10-13(21)22-4/h9,12H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyKBCWVDURVWONET-UHFFFAOYSA-N
XLogP0.90
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate (CID 50971847) is methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate is COC(=O)CN1CCC(Nc2ncc(C)c(N(C)C)n2)CC1.
What is the InChIKey of methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate?
The InChIKey is KBCWVDURVWONET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-9-16-15(18-14(11)19(2)3)17-12-5-7-20(8-6-12)10-13(21)22-4/h9,12H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate?
methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate has a molecular weight of 307.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]piperidin-1-yl]acetate is sourced from PubChem (CID 50971847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).