ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate

C15H20ClN3O2 — CID 133420616

IUPACethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C15H20ClN3O2/c1-2-21-15(20)10-5-6-11(7-10)17-13-8-12(16)18-14(19-13)9-3-4-9/h8-11H,2-7H2,1H3,(H,17,18,19)
InChIKeyJCLFNMDNMMRVSZ-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.15
Rot. Bonds5

About ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate

ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate (PubChem CID 133420616) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
PubChem CID133420616
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Nameethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C15H20ClN3O2/c1-2-21-15(20)10-5-6-11(7-10)17-13-8-12(16)18-14(19-13)9-3-4-9/h8-11H,2-7H2,1H3,(H,17,18,19)
InChIKeyJCLFNMDNMMRVSZ-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
ethyl 4-(4,6-dichloroquinazolin-2-yl)cyclohexane-1-carboxylate
CID 18796645
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
cis-ethyl (1R,3S)-3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 154755479
ethyl 4-(6-chloro-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485016
6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
CID 133421904
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
CID 133420673
1-[4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133418296
ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 116813100
6-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-2,4-diamine
CID 103082047
ethyl 4-[(6-chloropyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 62235259

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate (CID 133420616) is ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate is CCOC(=O)C1CCC(Nc2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is JCLFNMDNMMRVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-21-15(20)10-5-6-11(7-10)17-13-8-12(16)18-14(19-13)9-3-4-9/h8-11H,2-7H2,1H3,(H,17,18,19).
What are the key properties of ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate?
ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 309.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 133420616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).