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

C12H20N4O2 — CID 83181700

IUPACethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCC(C)(C)N)nc1C
InChIInChI=1S/C12H20N4O2/c1-5-18-10(17)9-6-14-11(16-8(9)2)15-7-12(3,4)13/h6H,5,7,13H2,1-4H3,(H,14,15,16)
InChIKeyDXWLGNCSJMRHQN-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.11
Rot. Bonds5

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

ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate (PubChem CID 83181700) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
PubChem CID83181700
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCC(C)(C)N)nc1C
InChIInChI=1S/C12H20N4O2/c1-5-18-10(17)9-6-14-11(16-8(9)2)15-7-12(3,4)13/h6H,5,7,13H2,1-4H3,(H,14,15,16)
InChIKeyDXWLGNCSJMRHQN-UHFFFAOYSA-N
XLogP1.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
3-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 83180305
ethyl 2-[3-(aminomethyl)pentan-3-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83182064
ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
ethyl 2-[(1-hydroxycyclopentyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 83180495
ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
CID 83178473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate (CID 83181700) is ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCC(C)(C)N)nc1C.
What is the InChIKey of ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate?
The InChIKey is DXWLGNCSJMRHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-18-10(17)9-6-14-11(16-8(9)2)15-7-12(3,4)13/h6H,5,7,13H2,1-4H3,(H,14,15,16).
What are the key properties of ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 83181700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).