6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H22N6 — CID 17463429

IUPAC6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(NC1CCCC1)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H22N6/c1-8(14-9-6-4-5-7-9)10-15-11(13)17-12(16-10)18(2)3/h8-9,14H,4-7H2,1-3H3,(H2,13,15,16,17)
InChIKeyPAPPXJGNNHBQJW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.11
Rot. Bonds4

About 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17463429) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17463429
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(NC1CCCC1)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H22N6/c1-8(14-9-6-4-5-7-9)10-15-11(13)17-12(16-10)18(2)3/h8-9,14H,4-7H2,1-3H3,(H2,13,15,16,17)
InChIKeyPAPPXJGNNHBQJW-UHFFFAOYSA-N
XLogP1.11
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17463429) is 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CC(NC1CCCC1)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PAPPXJGNNHBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-8(14-9-6-4-5-7-9)10-15-11(13)17-12(16-10)18(2)3/h8-9,14H,4-7H2,1-3H3,(H2,13,15,16,17).
What are the key properties of 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclopentylamino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17463429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).