[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide

C10H16N6O — CID 657554

IUPAC[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide
SMILESCCC(C)Nc1nc(OC)nc(N(C)C#N)n1
InChIInChI=1S/C10H16N6O/c1-5-7(2)12-8-13-9(16(3)6-11)15-10(14-8)17-4/h7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyDZIHEZJQEPDHCL-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.01
Rot. Bonds5

About [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide

[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide (PubChem CID 657554) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide.

Molecular Properties

Compound Name[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide
PubChem CID657554
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide
SMILESCCC(C)Nc1nc(OC)nc(N(C)C#N)n1
InChIInChI=1S/C10H16N6O/c1-5-7(2)12-8-13-9(16(3)6-11)15-10(14-8)17-4/h7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyDZIHEZJQEPDHCL-UHFFFAOYSA-N
XLogP1.01
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prometon
CID 4928
Atraton
CID 15359
Terbumeton
CID 36584
Secbumeton
CID 33443
Simeton
CID 12654
Sebuthylazine
CID 23712
N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
N-(butan-2-yl)-N'-ethyl-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazine-2,4-diamine
CID 3098377
6-Methoxy-N2-methyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 18212
Amino[4,6-bis(ethylamino)(1,3,5-triazin-2-yl)](methylethyl)carbonitrile
CID 826227
(4-Ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-methyl-cyanamide
CID 910908

Frequently Asked Questions

What is the IUPAC name of [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide?
The IUPAC name of [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide (CID 657554) is [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide.
What is the SMILES notation for [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide?
The canonical SMILES for [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide is CCC(C)Nc1nc(OC)nc(N(C)C#N)n1.
What is the InChIKey of [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide?
The InChIKey is DZIHEZJQEPDHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-5-7(2)12-8-13-9(16(3)6-11)15-10(14-8)17-4/h7H,5H2,1-4H3,(H,12,13,14,15).
What are the key properties of [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide?
[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide has a molecular weight of 236.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylcyanamide is sourced from PubChem (CID 657554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).