6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C9H14ClN5O — CID 80780773

IUPAC6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(Cl)n1)C1CCCO1
InChIInChI=1S/C9H14ClN5O/c1-5(6-3-2-4-16-6)12-9-14-7(10)13-8(11)15-9/h5-6H,2-4H2,1H3,(H3,11,12,13,14,15)
InChIKeyFFSQGQRIMWLDOC-UHFFFAOYSA-N
MW243.70 g/mol
LogP1.09
Rot. Bonds3

About 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80780773) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80780773
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(Cl)n1)C1CCCO1
InChIInChI=1S/C9H14ClN5O/c1-5(6-3-2-4-16-6)12-9-14-7(10)13-8(11)15-9/h5-6H,2-4H2,1H3,(H3,11,12,13,14,15)
InChIKeyFFSQGQRIMWLDOC-UHFFFAOYSA-N
XLogP1.09
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[1-(oxolan-2-yl)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774979
2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80782031
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
CID 82237452
2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79632789
4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 65169694
2-chloro-5-fluoro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081832
3-chloro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 43533841
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782030
N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
CID 164651622
6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782108
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80780773) is 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(Cl)n1)C1CCCO1.
What is the InChIKey of 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FFSQGQRIMWLDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-5(6-3-2-4-16-6)12-9-14-7(10)13-8(11)15-9/h5-6H,2-4H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 243.70 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80780773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).