4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine

C10H13ClN4O2 — CID 89167772

IUPAC4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2CC=CO2)n1
InChIInChI=1S/C10H13ClN4O2/c1-2-16-10-14-8(11)13-9(15-10)12-6-7-4-3-5-17-7/h3,5,7H,2,4,6H2,1H3,(H,12,13,14,15)
InChIKeySRMFWWDVWHWANF-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.64
Rot. Bonds5

About 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 89167772) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID89167772
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2CC=CO2)n1
InChIInChI=1S/C10H13ClN4O2/c1-2-16-10-14-8(11)13-9(15-10)12-6-7-4-3-5-17-7/h3,5,7H,2,4,6H2,1H3,(H,12,13,14,15)
InChIKeySRMFWWDVWHWANF-UHFFFAOYSA-N
XLogP1.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-Dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile
CID 70992636
4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine
CID 89167576
4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine
CID 89167615
4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine
CID 80861070
4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861654
N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106196205
N-(2-but-3-enoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106405777
N-(2-but-3-enoxyethyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106405842
N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114184656
N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 114184793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine (CID 89167772) is 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC2CC=CO2)n1.
What is the InChIKey of 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is SRMFWWDVWHWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-2-16-10-14-8(11)13-9(15-10)12-6-7-4-3-5-17-7/h3,5,7H,2,4,6H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 256.69 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 89167772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).