ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate

C16H21N7O2 — CID 19147050

IUPACethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(Nc3ccccn3)c2N)CC1
InChIInChI=1S/C16H21N7O2/c1-2-25-16(24)23-9-7-22(8-10-23)15-13(17)14(19-11-20-15)21-12-5-3-4-6-18-12/h3-6,11H,2,7-10,17H2,1H3,(H,18,19,20,21)
InChIKeyCXEXOVSFHGJTMG-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.48
Rot. Bonds4

About ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 19147050) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID19147050
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Nameethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(Nc3ccccn3)c2N)CC1
InChIInChI=1S/C16H21N7O2/c1-2-25-16(24)23-9-7-22(8-10-23)15-13(17)14(19-11-20-15)21-12-5-3-4-6-18-12/h3-6,11H,2,7-10,17H2,1H3,(H,18,19,20,21)
InChIKeyCXEXOVSFHGJTMG-UHFFFAOYSA-N
XLogP1.48
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate
CID 22540622
ethyl 4-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19149279
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216
ethyl 4-[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 19150942
6-[4-(4-methoxyphenyl)piperazin-1-yl]-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138926
ethyl 4-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19153099
ethyl 4-[[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19146406
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147410
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 107877825
ethyl 4-[6-[(3-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate
CID 22527192
ethyl 4-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 22542674

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate (CID 19147050) is ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncnc(Nc3ccccn3)c2N)CC1.
What is the InChIKey of ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is CXEXOVSFHGJTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-2-25-16(24)23-9-7-22(8-10-23)15-13(17)14(19-11-20-15)21-12-5-3-4-6-18-12/h3-6,11H,2,7-10,17H2,1H3,(H,18,19,20,21).
What are the key properties of ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 19147050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).