methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate

C12H18N4O2 — CID 66286514

IUPACmethyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC2(CN)CCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-18-11(17)10-14-7-4-9(15-10)16-12(8-13)5-2-3-6-12/h4,7H,2-3,5-6,8,13H2,1H3,(H,14,15,16)
InChIKeyFWLIIMMRZXONNX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.95
Rot. Bonds4

About methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate

methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate (PubChem CID 66286514) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
PubChem CID66286514
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC2(CN)CCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-18-11(17)10-14-7-4-9(15-10)16-12(8-13)5-2-3-6-12/h4,7H,2-3,5-6,8,13H2,1H3,(H,14,15,16)
InChIKeyFWLIIMMRZXONNX-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-(methylamino)pyrimidine-2-carboxylate
CID 66284806
ethyl 4-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 164643114
Methyl 4-(4,4,4-trifluorobutylamino)pyrimidine-2-carboxylate
CID 113327788
Methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyrimidine-2-carboxylate
CID 114384285
Methyl 4-(5,5,5-trifluoropentylamino)pyrimidine-2-carboxylate
CID 115520599
Ethyl 4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidine-2-carboxylate
CID 126835928
Ethyl 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 138014234
2-[(2-Cyclopentylpyrimidin-4-yl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 167860945
4-[2-(2,2-Difluorocyclopentyl)ethylamino]pyrimidine-2-carboxylic acid
CID 167978338
Methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate
CID 62786207
Methyl 4-(cyclobutylamino)pyrimidine-2-carboxylate
CID 66286871
Methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287426

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate (CID 66286514) is methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate is COC(=O)c1nccc(NC2(CN)CCCC2)n1.
What is the InChIKey of methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
The InChIKey is FWLIIMMRZXONNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-11(17)10-14-7-4-9(15-10)16-12(8-13)5-2-3-6-12/h4,7H,2-3,5-6,8,13H2,1H3,(H,14,15,16).
What are the key properties of methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate?
methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66286514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).