4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine

C12H20ClN5O — CID 83113996

IUPAC4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)12(6-4-5-7-12)8-14-10-15-9(13)16-11(17-10)19-3/h4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyUWOFTNKKSDKSTR-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.82
Rot. Bonds5

About 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 83113996) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID83113996
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)12(6-4-5-7-12)8-14-10-15-9(13)16-11(17-10)19-3/h4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyUWOFTNKKSDKSTR-UHFFFAOYSA-N
XLogP1.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861
2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 83117873
4-chloro-6-ethoxy-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazin-2-amine
CID 63830004
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 105419837
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 105419825
6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
CID 104923863
4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 79871701
4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62858145
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83113419
4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
CID 114109143
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine (CID 83113996) is 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCC2(N(C)C)CCCC2)n1.
What is the InChIKey of 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is UWOFTNKKSDKSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-18(2)12(6-4-5-7-12)8-14-10-15-9(13)16-11(17-10)19-3/h4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 285.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 83113996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).