2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

C15H23N7O2 — CID 6401711

IUPAC2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N[C@H](C)CC)nc(Oc2ccc(OCC)nn2)n1
InChIInChI=1S/C15H23N7O2/c1-5-10(4)17-14-18-13(16-6-2)19-15(20-14)24-12-9-8-11(21-22-12)23-7-3/h8-10H,5-7H2,1-4H3,(H2,16,17,18,19,20)/t10-/m1/s1
InChIKeyBMHGOUSRACTLDW-SNVBAGLBSA-N
MW333.40 g/mol
LogP2.49
Rot. Bonds9

About 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 6401711) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID6401711
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N[C@H](C)CC)nc(Oc2ccc(OCC)nn2)n1
InChIInChI=1S/C15H23N7O2/c1-5-10(4)17-14-18-13(16-6-2)19-15(20-14)24-12-9-8-11(21-22-12)23-7-3/h8-10H,5-7H2,1-4H3,(H2,16,17,18,19,20)/t10-/m1/s1
InChIKeyBMHGOUSRACTLDW-SNVBAGLBSA-N
XLogP2.49
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine
CID 2946464
6-[[4-(6-ethoxypyridazin-3-yl)sulfanyl-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
CID 34888394
4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 29131756
4-N-ethyl-2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 2938024
6-[[4-[[(2R)-butan-2-yl]amino]-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
CID 933890
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one
CID 27260930
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
6-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
CID 45125175
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 6401711) is 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N[C@H](C)CC)nc(Oc2ccc(OCC)nn2)n1.
What is the InChIKey of 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BMHGOUSRACTLDW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-5-10(4)17-14-18-13(16-6-2)19-15(20-14)24-12-9-8-11(21-22-12)23-7-3/h8-10H,5-7H2,1-4H3,(H2,16,17,18,19,20)/t10-/m1/s1.
What are the key properties of 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 333.40 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6401711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).