3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C13H20ClN3O2 — CID 106137198

IUPAC3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCOCc1nc(Cl)cc(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H20ClN3O2/c1-2-19-8-13-16-11(14)6-12(17-13)15-7-9-3-4-10(18)5-9/h6,9-10,18H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyMXRZUWPOXGBHML-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.24
Rot. Bonds6

About 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106137198) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106137198
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCOCc1nc(Cl)cc(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H20ClN3O2/c1-2-19-8-13-16-11(14)6-12(17-13)15-7-9-3-4-10(18)5-9/h6,9-10,18H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyMXRZUWPOXGBHML-UHFFFAOYSA-N
XLogP2.24
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137939
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
4-N-(cyclobutylmethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401346
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148540
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 106137198) is 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCOCc1nc(Cl)cc(NCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is MXRZUWPOXGBHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-2-19-8-13-16-11(14)6-12(17-13)15-7-9-3-4-10(18)5-9/h6,9-10,18H,2-5,7-8H2,1H3,(H,15,16,17).
What are the key properties of 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 285.78 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).