ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate

C14H22N4O3 — CID 83178473

IUPACethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
SMILESCCCNC(=O)CCNc1ncc(C(=O)OCC)c(C)n1
InChIInChI=1S/C14H22N4O3/c1-4-7-15-12(19)6-8-16-14-17-9-11(10(3)18-14)13(20)21-5-2/h9H,4-8H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyCRYVFGINWRIKLK-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.29
Rot. Bonds8

About ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate

ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate (PubChem CID 83178473) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
PubChem CID83178473
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
SMILESCCCNC(=O)CCNc1ncc(C(=O)OCC)c(C)n1
InChIInChI=1S/C14H22N4O3/c1-4-7-15-12(19)6-8-16-14-17-9-11(10(3)18-14)13(20)21-5-2/h9H,4-8H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyCRYVFGINWRIKLK-UHFFFAOYSA-N
XLogP1.29
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
ethyl 4-methyl-2-(3-methylsulfinylbutylamino)pyrimidine-5-carboxylate
CID 115967587
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
CID 83178869
ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate
CID 154763474
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 4-chloro-2-[(3-ethoxy-3-oxopropyl)amino]pyrimidine-5-carboxylate
CID 174635272
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate (CID 83178473) is ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate is CCCNC(=O)CCNc1ncc(C(=O)OCC)c(C)n1.
What is the InChIKey of ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate?
The InChIKey is CRYVFGINWRIKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-7-15-12(19)6-8-16-14-17-9-11(10(3)18-14)13(20)21-5-2/h9H,4-8H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate?
ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 83178473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).