methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate

C12H18N4O2 — CID 66285311

IUPACmethyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC2CCCC2CN)n1
InChIInChI=1S/C12H18N4O2/c1-18-12(17)11-14-6-5-10(16-11)15-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7,13H2,1H3,(H,14,15,16)
InChIKeyWJZGFYOOSQCDIA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.80
Rot. Bonds4

About methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate

methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate (PubChem CID 66285311) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
PubChem CID66285311
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC2CCCC2CN)n1
InChIInChI=1S/C12H18N4O2/c1-18-12(17)11-14-6-5-10(16-11)15-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7,13H2,1H3,(H,14,15,16)
InChIKeyWJZGFYOOSQCDIA-UHFFFAOYSA-N
XLogP0.80
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
CID 66286549
methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
CID 66287288
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
CID 66287042
2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
CID 114770110
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66286514
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
CID 66285647
N-[2-(aminomethyl)cyclopentyl]-5-tert-butylpyridin-2-amine
CID 114011644
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
[2-[(2-hydrazinylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106368360

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate (CID 66285311) is methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate is COC(=O)c1nccc(NC2CCCC2CN)n1.
What is the InChIKey of methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
The InChIKey is WJZGFYOOSQCDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-12(17)11-14-6-5-10(16-11)15-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7,13H2,1H3,(H,14,15,16).
What are the key properties of methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66285311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).