ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate

C15H24N4O2 — CID 83178883

IUPACethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCC2CN)nc1C
InChIInChI=1S/C15H24N4O2/c1-3-21-14(20)12-9-17-15(18-10(12)2)19-13-7-5-4-6-11(13)8-16/h9,11,13H,3-8,16H2,1-2H3,(H,17,18,19)
InChIKeyHOLXWARZFVABRY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.89
Rot. Bonds5

About ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate

ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate (PubChem CID 83178883) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate
PubChem CID83178883
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCC2CN)nc1C
InChIInChI=1S/C15H24N4O2/c1-3-21-14(20)12-9-17-15(18-10(12)2)19-13-7-5-4-6-11(13)8-16/h9,11,13H,3-8,16H2,1-2H3,(H,17,18,19)
InChIKeyHOLXWARZFVABRY-UHFFFAOYSA-N
XLogP1.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
CID 83180168
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
ethyl 2-[3-(aminomethyl)pentan-3-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83182064
ethyl 2-[(1-hydroxycyclopentyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 83180495
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178152
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178579
ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
CID 103943012

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate (CID 83178883) is ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CCCCC2CN)nc1C.
What is the InChIKey of ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate?
The InChIKey is HOLXWARZFVABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-21-14(20)12-9-17-15(18-10(12)2)19-13-7-5-4-6-11(13)8-16/h9,11,13H,3-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 83178883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).