4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C12H22N6 — CID 155563489

IUPAC4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H22N6/c1-4-9(2)10-14-11(13)16-12(15-10)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOOIMBHDHFXDSGP-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.72
Rot. Bonds3

About 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 155563489) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID155563489
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H22N6/c1-4-9(2)10-14-11(13)16-12(15-10)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOOIMBHDHFXDSGP-UHFFFAOYSA-N
XLogP0.72
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-amine (10)
CID 121238067
4-Ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868172
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
CID 207511
4-Tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 25133970
4-(4-Methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251397
4-(4-Methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 63868328
4-(Cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155540438
4-(2,2-Dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155546701
4-Methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868018
s-Triazine, 2-amino-4-(piperidinomethyl)-4-piperidino-
CID 210894
s-Triazine, 2-amino-4-piperidino-6-(1-pyrrolidinylmethyl)-
CID 211142
1,3,5-Triazin-2-amine, 4-methyl-6-(1-piperidinyl)-
CID 207476

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 155563489) is 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CCC(C)c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is OOIMBHDHFXDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-4-9(2)10-14-11(13)16-12(15-10)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 155563489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).