6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine

C10H18FN5 — CID 18769908

IUPAC6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C10H18FN5/c1-4-7(5-2)13-10-15-8(6(3)11)14-9(12)16-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyGURCPXYCUCRRLY-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.08
Rot. Bonds5

About 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18769908) has the molecular formula C10H18FN5 and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID18769908
Molecular FormulaC10H18FN5
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C10H18FN5/c1-4-7(5-2)13-10-15-8(6(3)11)14-9(12)16-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyGURCPXYCUCRRLY-UHFFFAOYSA-N
XLogP2.08
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
4,6-Bis-isopropylamino-[1,3,5]triazine-2-carbonitrile
CID 644401
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
N~2~,N~4~-Dicyclohexyl-6-propyl-1,3,5-triazine-2,4(1H,3H)-diimine
CID 213571
1,3,5-Triazin-2-amine, 4-chloro-6-ethyl-N-(1-methylethyl)-
CID 3044737
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-N-(1-methylethyl)-
CID 199910
s-Triazine, 2-amino-4-(cyclohexylamino)-6-isopropyl-
CID 207482
s-Triazine, 2,4-bis(cyclohexylamino)-6-ethyl-
CID 213570
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (CID 18769908) is 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine is CCC(CC)Nc1nc(N)nc(C(C)F)n1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GURCPXYCUCRRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5/c1-4-7(5-2)13-10-15-8(6(3)11)14-9(12)16-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 227.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18769908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).