tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate

C19H25N5O3 — CID 143560928

IUPACtert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-11-9-23(10-12-24)17-21-15(13-16(25)22(17)4)14-5-7-20-8-6-14/h5-8,13H,9-12H2,1-4H3
InChIKeyAWIRFTRCDLKINN-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 143560928) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID143560928
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Nametert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-11-9-23(10-12-24)17-21-15(13-16(25)22(17)4)14-5-7-20-8-6-14/h5-8,13H,9-12H2,1-4H3
InChIKeyAWIRFTRCDLKINN-UHFFFAOYSA-N
XLogP1.90
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (5R)-6-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71128982
tert-butyl 3-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 59576852
tert-butyl (3R)-3-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 59576928
tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 59576897
tert-butyl 4-(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 136881552
tert-butyl 2-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 59576772
3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59793989
tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate
CID 169219695
tert-butyl 4-(1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-1-carboxylate
CID 150990896
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 58900061
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate (CID 143560928) is tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate is Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is AWIRFTRCDLKINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-11-9-23(10-12-24)17-21-15(13-16(25)22(17)4)14-5-7-20-8-6-14/h5-8,13H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 143560928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).